5-Hydroxy-1-[3-(trifluoromethyl)phenyl]-1H-pyrazole-3-carboxylic acid
C11H7F3N2O3
1505579-77-0 Copyright (C) 2024 ACS
  0  0  0     0  0            999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS  19 20 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 6.3830 0.0000 0.0 0
M  V30 2 C 9.5695 4.3858 0.0 0
M  V30 3 O 9.4084 5.9173 0.0 0
M  V30 4 O 10.9763 3.7593 0.0 0
M  V30 5 C 1.3336 5.3779 0.0 0
M  V30 6 F 2.6673 6.1479 0.0 0
M  V30 7 F 0.5636 6.7117 0.0 0
M  V30 8 F 0.0000 4.6079 0.0 0
M  V30 9 N 5.9537 2.7106 0.0 0
M  V30 10 N 6.8589 3.9564 0.0 0
M  V30 11 C 6.8589 1.4647 0.0 0
M  V30 12 C 8.3236 3.4806 0.0 0
M  V30 13 C 8.3236 1.9406 0.0 0
M  V30 14 C 4.4137 2.7106 0.0 0
M  V30 15 C 3.6437 4.0442 0.0 0
M  V30 16 C 3.6437 1.3769 0.0 0
M  V30 17 C 2.1037 4.0442 0.0 0
M  V30 18 C 2.1037 1.3769 0.0 0
M  V30 19 C 1.3336 2.7106 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 11
M  V30 2 1 2 3
M  V30 3 2 2 4
M  V30 4 1 2 12
M  V30 5 1 5 6
M  V30 6 1 5 7
M  V30 7 1 5 8
M  V30 8 1 5 17
M  V30 9 1 9 10
M  V30 10 1 9 11
M  V30 11 1 9 14
M  V30 12 2 10 12
M  V30 13 2 11 13
M  V30 14 1 12 13
M  V30 15 2 14 15
M  V30 16 1 14 16
M  V30 17 1 15 17
M  V30 18 2 16 18
M  V30 19 2 17 19
M  V30 20 1 18 19
M  V30 END BOND
M  V30 END CTAB
M  END
> <cas.rn>
1505579-77-0

> <cas.index.name>
1H-Pyrazole-3-carboxylic acid, 5-hydroxy-1-[3-(trifluoromethyl)phenyl]-

> <molecular.formula>
C11H7F3N2O3

> <molecular.weight>
272.18

> <boiling.point.predicted>
447.7±45.0 °C    Press: 760 Torr

> <density.predicted>
1.56±0.1 g/cm3    Temp: 20 °C; Press: 760 Torr

> <pka.predicted>
3.71±0.10    Most Acidic Temp: 25 °C

$$$$
