Molecule ID: 5460378

IUPAC Name: 2-(4-chlorophenyl)acetate

Description: The molecule is a monocarboxylic acid anion that results from the removal of a proton from the carboxylic acid group of 4-chlorophenylacetic acid. It has a role as a xenobiotic metabolite. It derives from an acetate. It is a conjugate base of a 4-chlorophenylacetic acid.

SMILES: O=C([O-])Cc1ccc(Cl)cc1

SELFIES: [O][=C][Branch1][C][O-1][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1]

InChI: InChI=1S/C8H7ClO2/c9-7-3-1-6(2-4-7)5-8(10)11/h1-4H,5H2,(H,10,11)/p-1

Molecular Properties:
- Polar Surface Area: 40.1 Ų
- LogP: 2.8