Trichloroacetic acid
C2HCl3O2
76-03-9 Copyright (C) 2024 ACS
  0  0  0     0  0            999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS  7 6 0 0 0
M  V30 BEGIN ATOM
M  V30 1 C 1.3337 2.3101 0.0 0
M  V30 2 C 2.6673 1.5400 0.0 0
M  V30 3 Cl 2.1037 3.6437 0.0 0
M  V30 4 Cl 0.0000 3.0801 0.0 0
M  V30 5 Cl 0.5637 0.9764 0.0 0
M  V30 6 O 4.0010 2.3101 0.0 0
M  V30 7 O 2.6673 0.0000 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 1 3
M  V30 3 1 1 4
M  V30 4 1 1 5
M  V30 5 1 2 6
M  V30 6 2 2 7
M  V30 END BOND
M  V30 END CTAB
M  END
> <cas.rn>
76-03-9

> <cas.index.name>
Acetic acid, 2,2,2-trichloro-

> <molecular.formula>
C2HCl3O2

> <molecular.weight>
163.39

> <melting.point.experimental>
57.5 °C

> <boiling.point.experimental>
195.5 °C

> <density.experimental>
1.6126 g/cm³    Temp: 64 °C

> <pka.predicted>
0.09±0.18    Most Acidic Temp: 25 °C

$$$$
