Molecule ID: 16496

IUPAC Name: 4-chlorobenzene-1,2-diol

Description: The molecule is a chlorocatechol that is catechol substituted by a chloro group at position 4. It has a role as a bacterial xenobiotic metabolite. It is a member of monochlorobenzenes and a chlorocatechol.

SMILES: Oc1ccc(Cl)cc1O

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

InChI: InChI=1S/C6H5ClO2/c7-4-1-2-5(8)6(9)3-4/h1-3,8-9H

Molecular Properties:
- Polar Surface Area: 40.5 Ų
- LogP: 2.3