Molecule ID: 5759

IUPAC Name: 2,3,6-trichlorobenzoic acid

Description: The molecule is a chlorobenzoic acid that is benzoic acid in which the hydrogens at positions 2, 3, and 6 have been replaced by chlorines. A synthetic auxin, it is used as a post-emergence herbicide to control weeds in various cereal crops. Not approved for use within the European Union. It has a role as a synthetic auxin, a herbicide and an agrochemical. It is a trichlorobenzene and a chlorobenzoic acid.

SMILES: O=C(O)c1c(Cl)ccc(Cl)c1Cl

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

InChI: InChI=1S/C7H3Cl3O2/c8-3-1-2-4(9)6(10)5(3)7(11)12/h1-2H,(H,11,12)

Molecular Properties:
- Polar Surface Area: 37.3 Ų
- LogP: 2.9