Molecule ID: 6421

IUPAC Name: 2,2,2-trichloroacetic acid

Description: The molecule is a monocarboxylic acid that is acetic acid in which all three methyl hydrogens are substituted by chlorine. It has a role as a metabolite, a carcinogenic agent and a mouse metabolite. It is a monocarboxylic acid and an organochlorine compound. It derives from an acetic acid. It is a conjugate acid of a trichloroacetate.

SMILES: O=C(O)C(Cl)(Cl)Cl

SELFIES: [O][=C][Branch1][C][O][C][Branch1][C][Cl][Branch1][C][Cl][Cl]

InChI: InChI=1S/C2HCl3O2/c3-2(4,5)1(6)7/h(H,6,7)

Molecular Properties:
- Polar Surface Area: 37.3 Ų
- LogP: 1.3