
C21H17F4N3O3S
2834106-06-6 Copyright (C) 2024 ACS
  0  0  0     0  0            999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS  32 34 0 0 1
M  V30 BEGIN ATOM
M  V30 1 C 7.7000 6.6684 0.0 0
M  V30 2 N 6.1600 6.6684 0.0 0
M  V30 3 O 8.4700 8.0021 0.0 0
M  V30 4 O 10.7800 6.6684 0.0 0
M  V30 5 C 7.7000 1.3336 0.0 0
M  V30 6 F 6.3664 2.1036 0.0 0
M  V30 7 F 6.9300 0.0000 0.0 0
M  V30 8 F 9.0336 0.5636 0.0 0
M  V30 9 C 12.3200 9.3358 0.0 0
M  V30 10 S 1.5400 9.3358 0.0 0 CFG=2 VAL=6
M  V30 11 C 0.0000 9.3358 0.0 0
M  V30 12 N 1.5400 7.7958 0.0 0
M  V30 13 O 1.5400 10.8758 0.0 0
M  V30 14 F 16.9400 6.6684 0.0 0
M  V30 15 C 8.4700 5.3347 0.0 0
M  V30 16 C 10.0100 5.3347 0.0 0
M  V30 17 C 7.7000 4.0011 0.0 0
M  V30 18 N 10.7800 4.0011 0.0 0
M  V30 19 C 8.4700 2.6674 0.0 0
M  V30 20 C 10.0100 2.6674 0.0 0
M  V30 21 C 12.3200 6.6684 0.0 0
M  V30 22 C 13.0900 8.0021 0.0 0
M  V30 23 C 13.0900 5.3347 0.0 0
M  V30 24 C 14.6300 8.0021 0.0 0
M  V30 25 C 14.6300 5.3347 0.0 0
M  V30 26 C 15.4000 6.6684 0.0 0
M  V30 27 C 5.3900 8.0021 0.0 0
M  V30 28 C 3.8500 8.0021 0.0 0
M  V30 29 C 6.1600 9.3358 0.0 0
M  V30 30 C 3.0800 9.3358 0.0 0
M  V30 31 C 5.3900 10.6694 0.0 0
M  V30 32 C 3.8500 10.6694 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 1 1 15
M  V30 4 1 2 27
M  V30 5 1 4 16
M  V30 6 1 4 21
M  V30 7 1 5 6
M  V30 8 1 5 7
M  V30 9 1 5 8
M  V30 10 1 5 19
M  V30 11 1 9 22
M  V30 12 1 10 11 CFG=1
M  V30 13 2 10 12
M  V30 14 2 10 13
M  V30 15 1 10 30 CFG=1
M  V30 16 1 14 26
M  V30 17 2 15 16
M  V30 18 1 15 17
M  V30 19 1 16 18
M  V30 20 2 17 19
M  V30 21 2 18 20
M  V30 22 1 19 20
M  V30 23 2 21 22
M  V30 24 1 21 23
M  V30 25 1 22 24
M  V30 26 2 23 25
M  V30 27 2 24 26
M  V30 28 1 25 26
M  V30 29 2 27 28
M  V30 30 1 27 29
M  V30 31 1 28 30
M  V30 32 2 29 31
M  V30 33 2 30 32
M  V30 34 1 31 32
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STEABS ATOMS=(1 10)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
> <cas.rn>
2834106-06-6

> <cas.index.name>
Not Yet Assigned

> <molecular.formula>
C21H17F4N3O3S

> <molecular.weight>
467.44

> <density.predicted>
1.40±0.1 g/cm3    Temp: 20 °C; Press: 760 Torr

$$$$
