Molecule ID: 6805

IUPAC Name: 2-(2,3,6-trichlorophenyl)acetic acid

Description: The molecule is a member of the class of phenylacetic acids that is phenylacetic acid in which the phenyl group has been substituted by chlorines at positions 2, 3, and 6. An obsolete herbicide that was used as its sodium and ammonium salts. It has a role as a herbicide, an agrochemical and a synthetic auxin. It is a trichlorobenzene and a member of phenylacetic acids. It is a conjugate acid of a chlorfenac(1-).

SMILES: O=C(O)Cc1c(Cl)ccc(Cl)c1Cl

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

Molecular Properties:
- Polar Surface Area: 37.3 Ų
- LogP: 3.2