Molecule ID: 6931526

IUPAC Name: 2-(2,3,6-trichlorophenyl)acetate

Description: The molecule is a monocarboxylic acid anion resulting from the deprotonation of the carboxy group of chlorfenac. It has a role as a synthetic auxin and a herbicide. It is a conjugate base of a chlorfenac.

SMILES: O=C([O-])Cc1c(Cl)ccc(Cl)c1Cl

SELFIES: [O][=C][Branch1][C][O-1][C][C][=C][Branch1][C][Cl][C][=C][C][Branch1][C][Cl][=C][Ring1][Branch2][Cl]

InChI: InChI=1S/C8H5Cl3O2/c9-5-1-2-6(10)8(11)4(5)3-7(12)13/h1-2H,3H2,(H,12,13)/p-1

Molecular Properties:
- Polar Surface Area: 40.1 Ų
- LogP: 3.8