5-Chloro-N-[5-chloro-4-[(4-chlorophenyl)cyanomethyl]-2-methylphenyl]-2-hydrox...
C22H15Cl3N2O2
212135-62-1 Copyright (C) 2024 ACS
  0  0  0     0  0            999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS  29 31 0 0 0
M  V30 BEGIN ATOM
M  V30 1 C 10.6696 3.0800 0.0 0
M  V30 2 C 10.6696 1.5400 0.0 0
M  V30 3 N 10.6696 0.0000 0.0 0
M  V30 4 Cl 8.0021 1.5400 0.0 0
M  V30 5 C 8.0021 7.7000 0.0 0
M  V30 6 N 5.3347 6.1600 0.0 0
M  V30 7 C 4.0011 5.3900 0.0 0
M  V30 8 O 4.0011 3.8500 0.0 0
M  V30 9 Cl 16.0043 6.1600 0.0 0
M  V30 10 O 1.3338 3.8500 0.0 0
M  V30 11 Cl 1.3338 10.0100 0.0 0
M  V30 12 C 9.3358 3.8500 0.0 0
M  V30 13 C 8.0021 3.0800 0.0 0
M  V30 14 C 9.3358 5.3900 0.0 0
M  V30 15 C 6.6685 3.8500 0.0 0
M  V30 16 C 8.0021 6.1600 0.0 0
M  V30 17 C 6.6685 5.3900 0.0 0
M  V30 18 C 12.0032 3.8500 0.0 0
M  V30 19 C 13.3369 3.0800 0.0 0
M  V30 20 C 12.0032 5.3900 0.0 0
M  V30 21 C 14.6705 3.8500 0.0 0
M  V30 22 C 13.3369 6.1600 0.0 0
M  V30 23 C 14.6705 5.3900 0.0 0
M  V30 24 C 2.6674 6.1600 0.0 0
M  V30 25 C 1.3338 5.3900 0.0 0
M  V30 26 C 2.6674 7.7000 0.0 0
M  V30 27 C 0.0000 6.1600 0.0 0
M  V30 28 C 1.3338 8.4700 0.0 0
M  V30 29 C 0.0000 7.7000 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 1 12
M  V30 3 1 1 18
M  V30 4 3 2 3
M  V30 5 1 4 13
M  V30 6 1 5 16
M  V30 7 1 6 7
M  V30 8 1 6 17
M  V30 9 2 7 8
M  V30 10 1 7 24
M  V30 11 1 9 23
M  V30 12 1 10 25
M  V30 13 1 11 28
M  V30 14 2 12 13
M  V30 15 1 12 14
M  V30 16 1 13 15
M  V30 17 2 14 16
M  V30 18 2 15 17
M  V30 19 1 16 17
M  V30 20 2 18 19
M  V30 21 1 18 20
M  V30 22 1 19 21
M  V30 23 2 20 22
M  V30 24 2 21 23
M  V30 25 1 22 23
M  V30 26 2 24 25
M  V30 27 1 24 26
M  V30 28 1 25 27
M  V30 29 2 26 28
M  V30 30 2 27 29
M  V30 31 1 28 29
M  V30 END BOND
M  V30 END CTAB
M  END
> <cas.rn>
212135-62-1

> <cas.index.name>
Benzamide, 5-chloro-N-[5-chloro-4-[(4-chlorophenyl)cyanomethyl]-2-methylphenyl]-2-hydroxy-

> <molecular.formula>
C22H15Cl3N2O2

> <molecular.weight>
445.73

> <melting.point.experimental>
144-146 °C

> <boiling.point.predicted>
538.7±50.0 °C    Press: 760 Torr

> <density.predicted>
1.442±0.06 g/cm3    Temp: 20 °C; Press: 760 Torr

> <pka.predicted>
7.64±0.43    Most Acidic Temp: 25 °C

$$$$
