Molecule ID: 3030

IUPAC Name: 3,6-dichloro-2-methoxybenzoic acid

Description: The molecule is a methoxybenzoic acid that is O-methylsalicylic acid substituted by chloro groups at positions 3 and 6. It has a role as a xenobiotic, an environmental contaminant, a herbicide, a synthetic auxin and an agrochemical. It is a methoxybenzoic acid and a dichlorobenzene. It is a conjugate acid of a 3,6-dichloro-2-methoxybenzoate.

SMILES: COc1c(Cl)ccc(Cl)c1C(=O)O

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

InChI: InChI=1S/C8H6Cl2O3/c1-13-7-5(10)3-2-4(9)6(7)8(11)12/h2-3H,1H3,(H,11,12)

Molecular Properties:
- Polar Surface Area: 46.5 Ų
- LogP: 2.2