Molecule ID: 1480

IUPAC Name: 2-(2,4,5-trichlorophenoxy)acetic acid

Description: The molecule is a chlorophenoxyacetic acid that is phenoxyacetic acid in which the ring hydrogens at postions 2, 4 and 5 are substituted by chlorines. It has a role as a defoliant, a synthetic auxin and a phenoxy herbicide. It is a chlorophenoxyacetic acid and a trichlorobenzene. It is a conjugate acid of a (2,4,5-trichlorophenoxy)acetate.

SMILES: O=C(O)COc1cc(Cl)c(Cl)cc1Cl

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

InChI: InChI=1S/C8H5Cl3O3/c9-4-1-6(11)7(2-5(4)10)14-3-8(12)13/h1-2H,3H2,(H,12,13)

Molecular Properties:
- Polar Surface Area: 46.5 Ų
- LogP: 3.3