4-Methylbenzenesulfonic acid 2-[(5-bromo-2-hydroxyphenyl)methylene]hydrazide
C14H13BrN2O3S
118719-16-7 Copyright (C) 2023 ACS
  0  0  0     0  0            999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS  21 22 0 0 0
M  V30 BEGIN ATOM
M  V30 1 C 4.0010 1.5400 0.0 0
M  V30 2 N 5.3348 2.3101 0.0 0
M  V30 3 N 6.6685 1.5400 0.0 0
M  V30 4 S 8.0022 2.3101 0.0 0 VAL=6
M  V30 5 O 7.2322 3.6437 0.0 0
M  V30 6 O 8.7722 0.9764 0.0 0
M  V30 7 O 1.3337 0.0000 0.0 0
M  V30 8 Br 1.3337 6.1601 0.0 0
M  V30 9 C 13.3370 5.3901 0.0 0
M  V30 10 C 2.6673 2.3101 0.0 0
M  V30 11 C 1.3337 1.5400 0.0 0
M  V30 12 C 2.6673 3.8501 0.0 0
M  V30 13 C 0.0000 2.3101 0.0 0
M  V30 14 C 1.3337 4.6201 0.0 0
M  V30 15 C 0.0000 3.8501 0.0 0
M  V30 16 C 9.3360 3.0801 0.0 0
M  V30 17 C 9.3360 4.6201 0.0 0
M  V30 18 C 10.6697 2.3101 0.0 0
M  V30 19 C 10.6697 5.3901 0.0 0
M  V30 20 C 12.0033 3.0801 0.0 0
M  V30 21 C 12.0033 4.6201 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2 CFG=2
M  V30 2 1 1 10
M  V30 3 1 2 3
M  V30 4 1 3 4
M  V30 5 2 4 5
M  V30 6 2 4 6
M  V30 7 1 4 16
M  V30 8 1 7 11
M  V30 9 1 8 14
M  V30 10 1 9 21
M  V30 11 2 10 11
M  V30 12 1 10 12
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 2 16 17
M  V30 18 1 16 18
M  V30 19 1 17 19
M  V30 20 2 18 20
M  V30 21 2 19 21
M  V30 22 1 20 21
M  V30 END BOND
M  V30 END CTAB
M  END
> <cas.rn>
118719-16-7

> <cas.index.name>
Benzenesulfonic acid, 4-methyl-, 2-[(5-bromo-2-hydroxyphenyl)methylene]hydrazide

> <molecular.formula>
C14H13BrN2O3S

> <molecular.weight>
369.23

> <melting.point.experimental>
206-208 °C

> <boiling.point.predicted>
509.6±60.0 °C    Press: 760 Torr

> <density.predicted>
1.54±0.1 g/cm3    Temp: 20 °C; Press: 760 Torr

> <pka.predicted>
7.79±0.48    Most Acidic Temp: 25 °C

$$$$
