5-Bromo-2,6-di-1H-pyrazol-1-yl-4-pyrimidinamine
C10H8BrN7
1337962-47-6 Copyright (C) 2024 ACS
  0  0  0     0  0            999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS  18 20 0 0 0
M  V30 BEGIN ATOM
M  V30 1 Br 2.4372 1.5400 0.0 0
M  V30 2 N 5.1047 0.0000 0.0 0
M  V30 3 C 3.7711 3.8501 0.0 0
M  V30 4 N 5.1047 4.6201 0.0 0
M  V30 5 C 3.7711 2.3100 0.0 0
M  V30 6 C 6.4384 3.8501 0.0 0
M  V30 7 C 5.1047 1.5400 0.0 0
M  V30 8 N 6.4384 2.3100 0.0 0
M  V30 9 N 2.4372 4.6201 0.0 0
M  V30 10 C 2.2763 6.1516 0.0 0
M  V30 11 N 1.0304 3.9936 0.0 0
M  V30 12 C 0.7700 6.4718 0.0 0
M  V30 13 C 0.0000 5.1382 0.0 0
M  V30 14 N 7.7722 4.6201 0.0 0
M  V30 15 C 7.9332 6.1516 0.0 0
M  V30 16 N 9.1790 3.9936 0.0 0
M  V30 17 C 9.4395 6.4718 0.0 0
M  V30 18 C 10.2095 5.1382 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 5
M  V30 2 1 2 7
M  V30 3 2 3 4
M  V30 4 1 3 5
M  V30 5 1 3 9
M  V30 6 1 4 6
M  V30 7 2 5 7
M  V30 8 2 6 8
M  V30 9 1 6 14
M  V30 10 1 7 8
M  V30 11 1 9 10
M  V30 12 1 9 11
M  V30 13 2 10 12
M  V30 14 2 11 13
M  V30 15 1 12 13
M  V30 16 1 14 15
M  V30 17 1 14 16
M  V30 18 2 15 17
M  V30 19 2 16 18
M  V30 20 1 17 18
M  V30 END BOND
M  V30 END CTAB
M  END
> <cas.rn>
1337962-47-6

> <cas.index.name>
4-Pyrimidinamine, 5-bromo-2,6-di-1H-pyrazol-1-yl-

> <molecular.formula>
C10H8BrN7

> <molecular.weight>
306.12

> <boiling.point.predicted>
574.9±60.0 °C    Press: 760 Torr

> <density.predicted>
1.93±0.1 g/cm3    Temp: 20 °C; Press: 760 Torr

> <pka.predicted>
-0.39±0.10    Most Basic Temp: 25 °C

$$$$
