OpenBabel07111612402D 22 21 0 0 0 0 0 0 0 0999 V2000 1.3660 0.3660 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.5000 0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5000 1.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5000 1.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3660 2.3660 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.5000 2.8660 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.0000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.5000 2.8660 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.5000 1.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0000 1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0000 2.7321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8660 2.2321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8660 2.2321 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.3660 3.0981 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.8660 1.2321 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.5000 3.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5000 4.5981 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.6340 4.0981 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.5000 3.5981 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.1340 3.2321 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.5000 0.8660 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 -0.0000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 2 21 1 0 0 0 0 2 22 1 0 0 0 0 3 4 1 0 0 0 0 3 8 1 0 0 0 0 3 9 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 7 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 16 1 0 0 0 0 11 20 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 15 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 19 1 0 0 0 0 M END > Bis(heptafluoroisopropyl)ketone > Bis(perfluoroisopropyl)ketone; 2,4-Bis(trifluoromethyl)octafluoropentan-3-one > 1545 > 100g - 1023 > 260 > 0 > 813-44-5 > C7F14O > 366.05 > 97% > > 72-73 > > 1,66 > 1,265-1,268 $$$$ JME 2016-11-13 Tue Jun 06 11:42:30 GMT+300 2017 15 15 0 0 0 0 0 0 0 0999 V2000 1.2124 1.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4249 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6373 1.4000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4249 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2124 4.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2124 5.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4249 6.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6373 5.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6373 4.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8497 3.5000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.8497 6.3000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.4249 7.7000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 6.3000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 3.5000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.2123 0.0000 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 4 9 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 5 14 1 0 0 0 0 6 7 2 0 0 0 0 6 13 1 0 0 0 0 7 8 1 0 0 0 0 7 12 1 0 0 0 0 8 9 2 0 0 0 0 8 11 1 0 0 0 0 9 10 1 0 0 0 0 1 15 1 0 0 0 0 M END > (Bromoacetyl)pentafluorobenzene > Pentafluorophenacyl bromide; 2-Bromo-2',3',4',5',6'-pentafluoroacetophenone > 127 > 100g - 734 > 750 > 0 > 5122-16-7 > C8H2BrF5O > 289.0 > 97% > 21 > 78-80/5 mm Hg > > 1,6 > 1,482, t=24,5 $$$$ JME 2016-11-13 Tue Jun 13 11:38:01 GMT+300 2017 10 9 0 0 0 0 0 0 0 0999 V2000 1.2124 1.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4248 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6373 1.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4248 3.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 2.1000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.2125 0.0000 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.7000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.6373 0.0000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.8497 2.1000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.8497 0.7000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 2 4 2 0 0 0 0 1 5 1 0 0 0 0 1 6 1 0 0 0 0 1 7 1 0 0 0 0 3 8 1 0 0 0 0 3 9 1 0 0 0 0 3 10 1 0 0 0 0 M END > Bromopentafluoroacetone > > 132 > 50g - 754 > 38 > 0 > 815-23-6 > C3BrF5O > 226.93 > 97% > > 31-33 > > 1,6 > $$$$ JME 2016-11-13 Tue Jun 13 11:40:45 GMT+300 2017 11 10 0 0 0 0 0 0 0 0999 V2000 1.2124 1.2374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4248 1.9374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6373 1.2374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8497 1.9374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0622 1.2374 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.4248 3.3374 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.9374 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 2.9594 0.0124 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.2922 0.0000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.8497 3.3374 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.0621 2.6374 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 2 6 2 0 0 0 0 1 7 1 0 0 0 0 3 8 1 0 0 0 0 3 9 1 0 0 0 0 4 10 1 0 0 0 0 4 11 1 0 0 0 0 M END > 1-Bromo-3,3,4,4,4-pentafluorobutan-2-one > > 134 > 100g - 902 > 1550 > 0 > 92737-01-4 > C4H2BrF5O > 240.96 > 97% > > 96-97 > > 1,92 > 1,352-1,355 $$$$ JME 2016-11-13 Tue Jun 06 12:13:34 GMT+300 2017 8 7 0 0 0 0 0 0 0 0999 V2000 4.8498 1.4000 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 3.6372 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4248 1.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2124 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4248 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2124 3.5000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.4000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 2.8000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 5 2 0 0 0 0 4 6 1 0 0 0 0 4 7 1 0 0 0 0 4 8 1 0 0 0 0 M END > 3-Bromo-1,1,1-trifluoroacetone > > 174 > 1kg - 720 > 220 > 0 > 431-35-6 > C3H2BrF3O > 190.95 > 97% > > 85-87 > 5 > 1,882 > 1,374-1,375 $$$$ JME 2016-11-13 Wed Jun 14 11:00:07 GMT+300 2017 12 12 0 0 0 0 0 0 0 0999 V2000 1.2125 4.1999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2125 2.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 2.1000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4249 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6373 2.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8498 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8498 0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6373 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4249 0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4250 4.8999 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 4.8999 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.2125 5.5999 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 4 9 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 1 10 1 0 0 0 0 1 11 1 0 0 0 0 1 12 1 0 0 0 0 M END > 2-Chloro-2,2-difluoroacetophenone > > 1239 > 100g - 1780 > 190 > 0 > 384-67-8 > C8H5ClF2O > 190.58 > 96% > > 95-97/37 mm Hg > 73 > 1,293 > 1,492-1,496 $$$$ JME 2016-11-13 Tue Jun 06 13:19:07 GMT+300 2017 24 25 0 0 0 0 0 0 0 0999 V2000 4.6856 1.3103 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.6726 2.1204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4483 1.4136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2241 2.1204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2241 3.5340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4483 4.2407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6726 3.5340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8968 4.2407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1210 3.5340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3451 4.2407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5694 3.5340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5694 2.1204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3451 1.4136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1210 2.1204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2485 1.3104 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 7.3451 0.0000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 9.7937 1.4136 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 9.7937 4.2407 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 7.3451 5.6543 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.8968 5.6543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4483 5.6543 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 4.2407 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.4136 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.4483 0.0000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 7 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 3 24 1 0 0 0 0 4 5 2 0 0 0 0 4 23 1 0 0 0 0 5 6 1 0 0 0 0 5 22 1 0 0 0 0 6 7 2 0 0 0 0 6 21 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 8 20 2 0 0 0 0 9 14 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 10 19 1 0 0 0 0 11 12 2 0 0 0 0 11 18 1 0 0 0 0 12 13 1 0 0 0 0 12 17 1 0 0 0 0 13 14 2 0 0 0 0 13 16 1 0 0 0 0 14 15 1 0 0 0 0 M END > Decafluorobenzophenone > Perfluorobenzophenone > 271 > 100g - 734 > 60 > 0 > 853-39-4 > C13F10O > 362.13 > 97% > 92-95 > 132-135/10 mm Hg > > > $$$$ JME 2016-11-13 Tue Jun 13 12:47:58 GMT+300 2017 9 8 0 0 0 0 0 0 0 0999 V2000 4.8498 2.1000 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 3.6374 1.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4250 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4250 3.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2125 1.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6374 0.0000 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 2.1001 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.2123 0.0000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.7001 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 2 6 1 0 0 0 0 3 4 2 0 0 0 0 3 5 1 0 0 0 0 5 7 1 0 0 0 0 5 8 1 0 0 0 0 5 9 1 0 0 0 0 M END > 1,1-Dibromo-3,3,3-trifluoroacetone > 3,3-Dibromo-1,1,1-trifluoroacetone > 1135 > 1kg - 738 > 1430 > 0 > 431-67-4 > C3HBr2F3O > 269.84 > 97% > > 111-113 > none > > 1,4305 $$$$ OpenBabel07111612392D 6 5 0 0 0 0 0 0 0 0999 V2000 0.8660 1.5000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8660 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8660 2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7321 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.0000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 2 6 1 0 0 0 0 3 4 2 0 0 0 0 3 5 1 0 0 0 0 M END > 1,1-Difluoroacetone > > 1703 > 1kg - 680 > 170 > 150 > 431-05-0 > C3H4F2O > 94.06 > 97%min > > 45-47 > > 1,16 > 1,371 $$$$ OpenBabel07111612392D 14 13 0 0 0 0 0 0 0 0999 V2000 2.5981 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7321 3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8660 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8660 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3660 3.3660 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.8660 2.5000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 3.0000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.8660 1.5000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.3660 0.6340 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 6 14 2 0 0 0 0 7 8 1 0 0 0 0 7 12 1 0 0 0 0 7 13 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 11 1 0 0 0 0 M END > (1E)-1-Ethoxy-4,4,5,5,5-pentafluoropent-1-en-3-one > > 1923 > 250g - 1035; 500g - 1450 > 290 > 0 > 184783-32-2 > C7H7F5O2 > 218.18 > 97% > > 180 > > > 1,3867, t=22 $$$$ OpenBabel07111612402D 11 10 0 0 0 0 0 0 0 0999 V2000 -2.5000 0.1340 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.5000 -0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5000 -0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3660 -1.3660 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -3.5000 -1.8660 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -4.0000 -0.0000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.5000 -1.8660 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.5000 -0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0000 -1.7321 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0000 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 2 7 1 0 0 0 0 2 8 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 6 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 M END > Ethyl pentafluoroethyl ketone > 1,1,1,2,2-Pentafluoropentan-3-one > 1541 > 100g - 1396 > 1600 > 20 > 378-72-3 > C5H5F5O > 176.09 > 97%min > > 61-62 > > 1,25-1,30 > 1,3015 $$$$ JME 2016-11-13 Wed Jun 14 10:47:48 GMT+300 2017 16 15 0 0 0 0 0 0 0 0999 V2000 1.2124 2.4246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4248 3.1246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6373 2.4246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8497 3.1246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 3.1246 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.2125 1.0246 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.7246 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.9235 1.2203 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.3549 1.2225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6726 0.0000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.7547 1.2429 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.0725 0.0204 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.4247 4.5246 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0622 2.4246 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.8497 4.5246 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.0622 3.8246 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 1 5 1 0 0 0 0 1 6 1 0 0 0 0 1 7 1 0 0 0 0 3 8 1 0 0 0 0 3 9 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 12 1 0 0 0 0 2 13 2 0 0 0 0 4 14 1 0 0 0 0 4 15 1 0 0 0 0 4 16 1 0 0 0 0 M END > Heptafluoroisopropyl trifluoromethyl ketone > Decafluoro(3-methylbutan-2-one); Perfluoro(3-methylbutan-2-one); 1,1,1,3,4,4,4-Heptafluoro-3-(trifluoromethyl)butan-2-one > 1234 > 100g - 1412 > 750 > 0 > 756-12-7 > C5F10O > 266.04 > 97% > > 24 > > > $$$$ JME 2016-11-13 Wed Jun 07 11:05:18 GMT+300 2017 18 18 0 0 0 0 0 0 0 0999 V2000 2.4249 4.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6373 4.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8498 4.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0622 4.9000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2124 4.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 4.2000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.2124 6.3000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 5.6000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.6814 3.0138 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.1309 2.9911 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.9609 6.1257 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.4134 6.0653 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.8499 2.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6375 2.0999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6376 0.6999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8501 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0625 0.7001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0624 2.1001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 1 5 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 8 1 0 0 0 0 1 9 1 0 0 0 0 1 10 1 0 0 0 0 2 11 1 0 0 0 0 2 12 1 0 0 0 0 3 13 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 13 18 1 0 0 0 0 13 14 2 0 0 0 0 M END > Heptafluoropropyl phenyl ketone > Perfluoropropyl phenyl ketone > 429 > 100g - 1340 > 130 > 0 > 559-91-1 > C10H5F7O > 274.14 > 97% > > 175-176 > > 1,473 > 1,431 $$$$ JME 2016-11-13 Wed Jun 07 12:06:43 GMT+300 2017 10 9 0 0 0 0 0 0 0 0999 V2000 1.2124 1.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4248 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6373 1.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 2.1000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.2125 0.0000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.7000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.8497 2.1000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.6373 0.0000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.8497 0.7000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.4248 3.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 1 6 1 0 0 0 0 3 7 1 0 0 0 0 3 8 1 0 0 0 0 3 9 1 0 0 0 0 2 10 2 0 0 0 0 M END > Hexafluoroacetone > Perfluoroacetone > 472 > 1kg - 350 > 2600 > 1000 > 684-16-2 > C3F6O > 166.02 > 98% > -129 > -28 > none > 1,320, t=25°C > $$$$ JME 2016-11-13 Wed Jun 07 12:09:08 GMT+300 2017 23 18 0 0 0 0 0 0 0 0999 V2000 1.2124 2.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4248 3.0100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6373 2.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 3.0100 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.2125 0.9100 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.6100 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.8497 3.0100 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.6373 0.9100 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.8497 1.6100 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.4248 4.4100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5489 2.3520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7613 3.0520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9737 2.3520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7612 4.4520 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3364 3.0520 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 7.5489 0.9520 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.3364 1.6520 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 9.9737 0.9520 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 11.1861 3.0520 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 11.1862 1.6520 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.8929 0.0560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2769 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0849 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 1 6 1 0 0 0 0 3 7 1 0 0 0 0 3 8 1 0 0 0 0 3 9 1 0 0 0 0 2 10 2 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 12 14 2 0 0 0 0 11 15 1 0 0 0 0 11 16 1 0 0 0 0 11 17 1 0 0 0 0 13 18 1 0 0 0 0 13 19 1 0 0 0 0 13 20 1 0 0 0 0 M END > Hexafluoroacetone sesquihydrate > Perfluoroacetone sesquihydrate > 473 > 1 kg - 234 > 450 > 1000 > 13098-39-0 > C3F6O.1,5H2O > 193.05 > 98% > 10-15 > 104-106 > > 1,496 > 1,308-1,312 $$$$ OpenBabel12281708462D 44 43 0 0 1 0 0 0 0 0999 V2000 -0.5000 -0.8660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3660 -1.3660 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.1340 -2.2321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1340 -2.2321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6340 -1.3660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6340 -3.0981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6340 -3.0981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1340 -3.9641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1340 -3.9641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6340 -3.0981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1340 -2.2321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1340 -1.2321 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -5.0000 -1.7321 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -3.1340 -2.2321 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -5.5000 -2.5981 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -5.5000 -3.5981 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -5.0000 -4.4641 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -4.1340 -4.9641 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -3.1340 -4.9641 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.2679 -4.4641 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -3.5000 -2.5981 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.6340 -2.0981 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.6340 -4.0981 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.7679 -3.5981 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.2321 -1.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8660 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3660 0.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3660 0.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8660 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3660 -1.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3660 -2.3660 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.2321 -1.8660 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.3660 -1.3660 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.7321 -1.0000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.7321 -0.0000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.2321 0.8660 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.3660 1.3660 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.3660 1.3660 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.5000 0.8660 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.7321 -1.0000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.8660 -1.5000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 0.5000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.0000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 2 25 1 0 0 0 0 2 26 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 6 23 1 0 0 0 0 6 24 1 0 0 0 0 7 8 1 0 0 0 0 7 21 1 0 0 0 0 7 22 1 0 0 0 0 8 9 1 0 0 0 0 8 19 1 0 0 0 0 8 20 1 0 0 0 0 9 10 1 0 0 0 0 9 17 1 0 0 0 0 9 18 1 0 0 0 0 10 11 1 0 0 0 0 10 15 1 0 0 0 0 10 16 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 14 1 0 0 0 0 26 27 1 0 0 0 0 26 43 1 0 0 0 0 26 44 1 0 0 0 0 27 28 1 0 0 0 0 27 41 1 0 0 0 0 27 42 1 0 0 0 0 28 29 1 0 0 0 0 28 39 1 0 0 0 0 28 40 1 0 0 0 0 29 30 1 0 0 0 0 29 37 1 0 0 0 0 29 38 1 0 0 0 0 30 31 1 0 0 0 0 30 35 1 0 0 0 0 30 36 1 0 0 0 0 31 32 1 0 0 0 0 31 33 1 0 0 0 0 31 34 1 0 0 0 0 M END > 3-Hydroxy-1,3-bis(perfluorohexyl)butan-1-one > > 2079 > Price on request > 620 > 0 > 2244081-92-1 > C16H6F26O2 > 724.8 > 94% > > 166 > > > 1,3222 $$$$ JME 2016-11-13 Wed Jun 07 11:50:51 GMT+300 2017 13 12 0 0 0 0 0 0 0 0999 V2000 2.4249 1.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6373 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8498 1.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2124 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.4000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.2124 3.5000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 2.8000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.6814 0.2138 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.1309 0.1911 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.9609 3.3257 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.4134 3.2653 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.0623 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8498 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 1 4 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 7 1 0 0 0 0 1 8 1 0 0 0 0 1 9 1 0 0 0 0 2 10 1 0 0 0 0 2 11 1 0 0 0 0 3 12 1 0 0 0 0 3 13 2 0 0 0 0 M END > Methyl heptafluoropropyl ketone > 1,1,1,2,2,3,3-Heptafluoro-4-pentanone; 1H,1H,1H-Heptafluoropentan-2-one; 3,3,4,4,5,5,5-Heptafluoro-2-pentanone; Perfluoropropyl methyl ketone > 461 > 100g - 1235 > 100 > 20 > 355-17-9 > C5H3F7O > 212.07 > 97% > > 61-63 > > 1,424 > 1,29-1,30 $$$$ JME 2016-11-13 Wed Jun 07 15:12:44 GMT+300 2017 16 15 0 0 0 0 0 0 0 0999 V2000 1.2125 1.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4249 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6374 1.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8498 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0623 1.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2747 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8075 3.3566 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.0443 3.3555 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.9417 0.1851 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.3089 0.1716 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.2615 3.3704 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.4758 3.3523 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 2.1000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.2124 0.0000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.7000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.0623 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 2 7 1 0 0 0 0 2 8 1 0 0 0 0 3 9 1 0 0 0 0 3 10 1 0 0 0 0 4 11 1 0 0 0 0 4 12 1 0 0 0 0 1 13 1 0 0 0 0 1 14 1 0 0 0 0 1 15 1 0 0 0 0 5 16 2 0 0 0 0 M END > Methyl nonafluorobutyl ketone > 1H,1H,1H-Nonafluorohexan-2-one; 1H,1H,1H-Perfluoro-2-hexanone > 604 > 100g - 1074 > 40 > 0 > 678-18-2 > C6H3F9O > 262.07 > 97% > > 87 > > 1,53 > $$$$ JME 2016-11-13 Tue Jun 13 15:00:58 GMT+300 2017 10 9 0 0 0 0 0 0 0 0999 V2000 1.2124 1.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4248 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6373 1.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8497 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 2.1000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.2125 0.0000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.7000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.1125 3.3195 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.6946 3.2945 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.6373 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 1 5 1 0 0 0 0 1 6 1 0 0 0 0 1 7 1 0 0 0 0 2 8 1 0 0 0 0 2 9 1 0 0 0 0 3 10 2 0 0 0 0 M END > Methyl pentafluoroethyl ketone > 3,3,4,4,4-Pentafluorobutan-2-one > 1166 > 100g - 1197 > 7090 > 50 > 374-41-4 > C4H3F5O > 162.06 > 97% > > 40-42 > > 1,284 > 1,286-1,291 $$$$ JME 2016-11-13 Wed Jun 07 15:42:11 GMT+300 2017 22 21 0 0 0 0 0 0 0 0999 V2000 1.2125 1.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4249 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6374 1.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8498 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0623 1.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2748 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8075 3.3566 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.0443 3.3555 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.9417 0.1851 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.3089 0.1716 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.2615 3.3704 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.4758 3.3523 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.5044 0.1160 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.7515 0.1814 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 2.1000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.2124 0.0000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.7000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 8.4871 1.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8110 3.3933 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.5699 3.3096 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 9.6995 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4870 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 2 7 1 0 0 0 0 2 8 1 0 0 0 0 3 9 1 0 0 0 0 3 10 1 0 0 0 0 4 11 1 0 0 0 0 4 12 1 0 0 0 0 5 13 1 0 0 0 0 5 14 1 0 0 0 0 1 15 1 0 0 0 0 1 16 1 0 0 0 0 1 17 1 0 0 0 0 6 18 1 0 0 0 0 6 19 1 0 0 0 0 6 20 1 0 0 0 0 18 21 1 0 0 0 0 18 22 2 0 0 0 0 M END > Methyl perfluorohexyl ketone > 1H,1H,1H-Perfluorooctan-2-one > 610 > 100g - 814 > 410 > 20 > 80793-21-1 > C8H3F13O > 362.09 > 97%min > > 130-132 > > > $$$$ OpenBabel07111612402D 13 12 0 0 0 0 0 0 0 0999 V2000 1.3660 0.3660 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.5000 0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5000 1.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3660 2.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2321 1.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2321 1.8660 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.7321 2.7321 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.2321 0.8660 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.3660 3.3660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 2.7321 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.5000 1.8660 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.5000 0.8660 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 -0.0000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 2 12 1 0 0 0 0 2 13 1 0 0 0 0 3 4 1 0 0 0 0 3 10 1 0 0 0 0 3 11 1 0 0 0 0 4 5 1 0 0 0 0 4 9 2 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 8 1 0 0 0 0 M END > Octafluorobutan-2-one > Octafluoro-2-butanone; Perfluoro-2-butanone > 1490 > 100g - 1557 > 1030 > 0 > 337-20-2 > C4F8O > 216.03 > 97% > > 0-2 > > > $$$$ JME 2016-11-13 Thu Jun 08 10:47:39 GMT+300 2017 14 14 0 0 0 0 0 0 0 0999 V2000 3.6373 0.0000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.6373 1.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4248 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4248 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6373 4.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8497 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8497 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0622 1.4000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.0622 4.2000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.6373 5.6000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.2124 4.2000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.2124 1.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2124 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 7 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 3 12 1 0 0 0 0 4 5 2 0 0 0 0 4 11 1 0 0 0 0 5 6 1 0 0 0 0 5 10 1 0 0 0 0 6 7 2 0 0 0 0 6 9 1 0 0 0 0 7 8 1 0 0 0 0 12 13 1 0 0 0 0 12 14 2 0 0 0 0 M END > 2',3',4',5',6'-Pentafluoroacetophenone > 1-(Pentafluorophenyl)ethan-1-one; 1-(Perfluorophenyl)ethan-1-one > 671 > 1kg - 1507 > 3560 > 0 > 652-29-9 > C8H3F5O > 210.1 > 97% > > 172-173 > 65 > 1,476 > 1,433-1,437 $$$$ JME 2016-11-13 Thu Jun 08 10:49:33 GMT+300 2017 19 20 0 0 0 0 0 0 0 0999 V2000 3.6372 1.4000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.8497 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8497 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6372 4.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6372 5.6000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4248 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4248 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2124 1.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2124 4.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0621 4.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2745 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2745 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0621 1.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0621 0.0000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 8.4871 1.4000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 8.4871 4.2000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.0621 5.6000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 15 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 3 12 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 11 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 12 13 2 0 0 0 0 12 19 1 0 0 0 0 13 14 1 0 0 0 0 13 18 1 0 0 0 0 14 15 2 0 0 0 0 14 17 1 0 0 0 0 15 16 1 0 0 0 0 M END > 2,3,4,5,6-Pentafluorobenzophenone > (Perfluorophenyl)(phenyl)methanone; (Pentafluorobenzoyl)benzene; Pentafluorophenyl phenyl ketone > 681 > 100g - 835 > 70 > 0 > 1536-23-8 > C13H5F5O > 272.17 > 97% > 36-39 > 137/12 mm Hg > >110 > > $$$$ JME 2017-02-26 Thu Oct 10 10:47:24 GMT+300 2019 17 17 0 0 0 0 0 0 0 0999 V2000 1.2125 5.5999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2125 4.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 3.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4249 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6373 4.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8498 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8498 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6373 1.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4249 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4250 6.2999 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 6.2999 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.2125 6.9999 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.6372 5.6000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.0622 4.2000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.0622 1.4000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.6372 0.0000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.2125 1.4000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 4 9 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 1 10 1 0 0 0 0 1 11 1 0 0 0 0 1 12 1 0 0 0 0 5 13 1 0 0 0 0 6 14 1 0 0 0 0 7 15 1 0 0 0 0 8 16 1 0 0 0 0 9 17 1 0 0 0 0 M END > Perfluoroacetophenone > Octafluoroacetophenone > 737 > 100g - 1016 > 680 > 0 > 652-22-2 > C8F8O > 264.07 > 97% > > 130-132 > 58 > 1,47 > 1,3924 $$$$ JME 2016-11-13 Tue Jun 13 15:50:22 GMT+300 2017 13 13 0 0 0 0 0 0 0 0999 V2000 1.2125 4.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 5.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 7.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2125 7.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4249 7.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4249 5.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2125 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4249 2.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4249 1.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6373 3.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2125 0.7000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.6374 0.7000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.4249 0.0000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 2 2 0 0 0 0 1 7 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 8 10 2 0 0 0 0 9 11 1 0 0 0 0 9 12 1 0 0 0 0 9 13 1 0 0 0 0 M END > 3-Phenyl-1,1,1-trifluoroacetone > Benzyltrifluoromethylketone > 1211 > 100g - 1058 > 740 > 0 > 350-92-5 > C9H7F3O > 188.15 > 97% > > 164-167 > 33 > 1,22, t=25 > 1,443-1,446 $$$$ OpenBabel07111612392D 13 13 0 0 0 0 0 0 0 0999 V2000 0.8660 1.5000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7321 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7321 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8660 0.5000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.8660 -1.5000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 -2.5000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4641 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 7 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 3 11 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 5 10 1 0 0 0 0 6 7 2 0 0 0 0 6 9 1 0 0 0 0 7 8 1 0 0 0 0 11 12 1 0 0 0 0 11 13 2 0 0 0 0 M END > 2',3',4',5'-Tetrafluoroacetophenone > > 1782 > 100g - 731 > 130 > 0 > 66286-21-3 > C8H4F4O > 192.11 > 97% > > 83-84/20 mm Hg > 68 > 1,41 > 1,453 $$$$ JME 2016-11-13 Fri Jun 09 13:06:24 GMT+300 2017 12 12 0 0 0 0 0 0 0 0999 V2000 4.8498 4.1999 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.6373 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6373 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4249 1.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2125 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2125 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4249 4.1999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4249 5.5999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 4.1999 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.4000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.4249 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8498 1.4000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 7 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 3 12 1 0 0 0 0 4 5 1 0 0 0 0 4 11 2 0 0 0 0 5 6 2 0 0 0 0 5 10 1 0 0 0 0 6 7 1 0 0 0 0 6 9 1 0 0 0 0 7 8 2 0 0 0 0 M END > Tetrafluoro-1,4-benzoquinone > p-Fluoranil > 923 > 100g - 961 > 80 > 0 > 527-21-9 > C6F4O2 > 180.06 > 97% > 179-183 > > > > $$$$ JME 2016-11-13 Fri Jun 09 13:08:39 GMT+300 2017 9 8 0 0 0 0 0 0 0 0999 V2000 1.2124 1.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4248 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6373 1.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8497 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 2.1000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.2125 0.0000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.1297 3.3096 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.6486 3.2651 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.6373 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 1 5 1 0 0 0 0 1 6 1 0 0 0 0 2 7 1 0 0 0 0 2 8 1 0 0 0 0 3 9 2 0 0 0 0 M END > 3,3,4,4-Tetrafluorobutan-2-one > > 931 > 100g - 1067 > 6230 > 40 > 679-97-0 > C4H4F4O > 144.07 > 97% > > 63-64 > > 1,3233 > 1,314 $$$$ OpenBabel07111612392D 10 9 0 0 0 0 0 0 0 0999 V2000 0.3660 -1.3660 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8660 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3660 -1.3660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3660 0.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3660 1.3660 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.5000 0.8660 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.3660 0.3660 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 0.5000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 2 9 1 0 0 0 0 2 10 1 0 0 0 0 3 4 2 0 0 0 0 3 5 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 8 1 0 0 0 0 M END > 1,1,3-Trichloro-1,3,3-trifluoroacetone > 1,1,3-Trichloro-1,3,3-trifluoropropan-2-one > 1909 > 100g - 1090 > 370 > 0 > 79-52-7 > C3Cl3F3O > 215.39 > 97% > > 84-85 > > > 1,386 $$$$ JME 2016-11-13 Tue Jun 13 11:13:33 GMT+300 2017 7 6 0 0 0 0 0 0 0 0999 V2000 1.2124 1.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4248 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6373 1.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 2.1000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.2125 0.0000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.7000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.4248 3.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 1 6 1 0 0 0 0 2 7 2 0 0 0 0 M END > 1,1,1-Trifluoroacetone > > 1038 > 1kg - 630 > 10040 > 500 > 421-50-1 > C3H3F3O > 112.05 > 99% > -78 > 20-22 > -30 > 1,252 > 1,2808-1,2820 $$$$ JME 2016-11-13 Tue Jun 13 11:15:43 GMT+300 2017 12 12 0 0 0 0 0 0 0 0999 V2000 1.2125 4.1999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2125 2.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 2.1000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4249 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6373 2.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8498 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8498 0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6373 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4249 0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4250 4.8999 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 4.8999 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.2125 5.5999 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 4 9 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 1 10 1 0 0 0 0 1 11 1 0 0 0 0 1 12 1 0 0 0 0 M END > 2,2,2-Trifluoroacetophenone > 2,2,2-Trifluoro-1-phenylethan-1-one; Trifluoroacetylbenzene; Phenyl trifluoromethyl ketone > 1041 > 100g - 539 > 450 > 0 > 434-45-7 > C8H5F3O > 174.12 > 97% > > 153-154 > 41 > 1,34 > 1,4563-1,4597 $$$$ JME 2016-11-13 Tue Jun 13 11:18:29 GMT+300 2017 8 7 0 0 0 0 0 0 0 0999 V2000 3.6374 1.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4250 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2124 1.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2124 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8498 2.1000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.6373 0.0000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.8498 0.7000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 5 2 0 0 0 0 1 6 1 0 0 0 0 1 7 1 0 0 0 0 1 8 1 0 0 0 0 M END > 4,4,4-Trifluorobutan-2-one > > 1054 > 100g - 1708 > 1090 > 0 > 2366-70-3 > C4H5F3O > 126.08 > 97% > > 95-96 > 37 > 1,05 > 1,3280, t = 23 $$$$ JME 2016-11-13 Tue Jun 13 11:18:05 GMT+300 2017 8 7 0 0 0 0 0 0 0 0999 V2000 1.2124 1.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4248 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6374 1.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8498 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4248 3.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 2.1000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.2125 0.0000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.7000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 2 5 2 0 0 0 0 3 4 1 0 0 0 0 1 6 1 0 0 0 0 1 7 1 0 0 0 0 1 8 1 0 0 0 0 M END > 1,1,1-Trifluorobutan-2-one > > 1053 > 1kg - 1187 > 5370 > 150 > 381-88-4 > C4H5F3O > 126.08 > 97% > > 44-45 > > 0,929 > 1,322 $$$$ OpenBabel07111612402D 13 13 0 0 0 0 0 0 0 0999 V2000 -0.8660 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7321 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7321 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8660 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8660 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7321 -2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5000 -3.8660 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.0000 -3.0000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.8660 -3.5000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 2 2 0 0 0 0 1 7 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 13 1 0 0 0 0 M END > 2,2,2-Trifluoroethyl phenyl ketone > 1-Phenyl-3,3,3-trifluoropropan-1-one > 1548 > 100g - 1196 > 90 > 0 > 709-21-7 > C9H7F3O > 188.15 > 97% > 36-38 > 105-106/4mm Hg > > > $$$$