Benzonitrile, 3-(5,7-difluoro-1,4-dihydro-4-oxo-2-quinolinyl)-4-(methylsulfon...
C17H10F2N2O3S
2924573-90-8 Copyright (C) 2024 ACS
  0  0  0     0  0            999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS  25 27 0 0 0
M  V30 BEGIN ATOM
M  V30 1 S 5.3348 9.2402 0.0 0 VAL=6
M  V30 2 C 4.0012 10.0102 0.0 0
M  V30 3 O 6.1048 10.5739 0.0 0
M  V30 4 O 4.5648 7.9065 0.0 0
M  V30 5 C 10.6697 6.1601 0.0 0
M  V30 6 N 12.0033 5.3901 0.0 0
M  V30 7 O 1.3337 6.9302 0.0 0
M  V30 8 F 0.0000 4.6201 0.0 0
M  V30 9 F 2.6673 0.0000 0.0 0
M  V30 10 C 6.6685 6.9302 0.0 0
M  V30 11 C 6.6685 8.4702 0.0 0
M  V30 12 C 8.0022 6.1601 0.0 0
M  V30 13 C 8.0022 9.2402 0.0 0
M  V30 14 C 9.3360 6.9302 0.0 0
M  V30 15 C 9.3360 8.4702 0.0 0
M  V30 16 C 5.3348 6.1601 0.0 0
M  V30 17 N 5.3348 4.6201 0.0 0
M  V30 18 C 4.0012 6.9302 0.0 0
M  V30 19 C 4.0012 3.8501 0.0 0
M  V30 20 C 2.6673 6.1601 0.0 0
M  V30 21 C 2.6673 4.6201 0.0 0
M  V30 22 C 4.0012 2.3101 0.0 0
M  V30 23 C 1.3337 3.8501 0.0 0
M  V30 24 C 2.6673 1.5400 0.0 0
M  V30 25 C 1.3337 2.3101 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 1 3
M  V30 3 2 1 4
M  V30 4 1 1 11
M  V30 5 3 5 6
M  V30 6 1 5 14
M  V30 7 2 7 20
M  V30 8 1 8 23
M  V30 9 1 9 24
M  V30 10 2 10 11
M  V30 11 1 10 12
M  V30 12 1 10 16
M  V30 13 1 11 13
M  V30 14 2 12 14
M  V30 15 2 13 15
M  V30 16 1 14 15
M  V30 17 1 16 17
M  V30 18 2 16 18
M  V30 19 1 17 19
M  V30 20 1 18 20
M  V30 21 1 19 21
M  V30 22 2 19 22
M  V30 23 1 20 21
M  V30 24 2 21 23
M  V30 25 1 22 24
M  V30 26 1 23 25
M  V30 27 2 24 25
M  V30 END BOND
M  V30 END CTAB
M  END
> <cas.rn>
2924573-90-8

> <cas.index.name>
Benzonitrile, 3-(5,7-difluoro-1,4-dihydro-4-oxo-2-quinolinyl)-4-(methylsulfonyl)-

> <molecular.formula>
C17H10F2N2O3S

> <molecular.weight>
360.34

> <boiling.point.predicted>
584.3±50.0 °C    Press: 760 Torr

> <density.predicted>
1.55±0.1 g/cm3    Temp: 20 °C; Press: 760 Torr

> <pka.predicted>
-0.69±0.70    Most Basic Temp: 25 °C

$$$$
