N-(3-Chloro-5-fluorophenyl)-4-nitro-2,1,3-benzoxadiazol-5-amine
C12H6ClFN4O3
1422955-31-4 Copyright (C) 2023 ACS
  0  0  0     0  0            999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS  21 23 0 0 0
M  V30 BEGIN ATOM
M  V30 1 N 3.7036 6.1600 0.0 0 VAL=5
M  V30 2 O 5.0372 6.9300 0.0 0
M  V30 3 O 2.3698 6.9300 0.0 0
M  V30 4 N 6.3709 4.6200 0.0 0
M  V30 5 Cl 11.7056 4.6200 0.0 0
M  V30 6 F 9.0383 0.0000 0.0 0
M  V30 7 C 2.3698 3.8500 0.0 0
M  V30 8 C 3.7036 4.6200 0.0 0
M  V30 9 C 2.3698 2.3100 0.0 0
M  V30 10 N 0.9052 4.3259 0.0 0
M  V30 11 C 5.0372 3.8500 0.0 0
M  V30 12 C 3.7036 1.5400 0.0 0
M  V30 13 N 0.9052 1.8341 0.0 0
M  V30 14 O 0.0000 3.0800 0.0 0
M  V30 15 C 5.0372 2.3100 0.0 0
M  V30 16 C 7.7045 3.8500 0.0 0
M  V30 17 C 9.0383 4.6200 0.0 0
M  V30 18 C 7.7045 2.3100 0.0 0
M  V30 19 C 10.3720 3.8500 0.0 0
M  V30 20 C 9.0383 1.5400 0.0 0
M  V30 21 C 10.3720 2.3100 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 2 1 3
M  V30 3 1 1 8
M  V30 4 1 4 11
M  V30 5 1 4 16
M  V30 6 1 5 19
M  V30 7 1 6 20
M  V30 8 1 7 8
M  V30 9 1 7 9
M  V30 10 2 7 10
M  V30 11 2 8 11
M  V30 12 1 9 12
M  V30 13 2 9 13
M  V30 14 1 10 14
M  V30 15 1 11 15
M  V30 16 2 12 15
M  V30 17 1 13 14
M  V30 18 2 16 17
M  V30 19 1 16 18
M  V30 20 1 17 19
M  V30 21 2 18 20
M  V30 22 2 19 21
M  V30 23 1 20 21
M  V30 END BOND
M  V30 END CTAB
M  END
> <cas.rn>
1422955-31-4

> <cas.index.name>
2,1,3-Benzoxadiazol-5-amine, N-(3-chloro-5-fluorophenyl)-4-nitro-

> <molecular.formula>
C12H6ClFN4O3

> <molecular.weight>
308.65

> <boiling.point.predicted>
430.2±55.0 °C    Press: 760 Torr

> <density.predicted>
1.652±0.06 g/cm3    Temp: 20 °C; Press: 760 Torr

> <pka.predicted>
-2.82±0.48    Most Basic Temp: 25 °C

$$$$
