Molecule ID: 5758

IUPAC Name: 2,6-dichlorobenzoic acid

Description: The molecule is a chlorobenzoic acid carrying two chloro groups at positions 2 and 6 respectively. It has a role as a bacterial xenobiotic metabolite. It is a chlorobenzoic acid and a dichlorobenzene. It derives from a benzoic acid. It is a conjugate acid of a 2,6-dichlorobenzoate.

SMILES: O=C(O)c1c(Cl)cccc1Cl

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

InChI: InChI=1S/C7H4Cl2O2/c8-4-2-1-3-5(9)6(4)7(10)11/h1-3H,(H,10,11)

Molecular Properties:
- Polar Surface Area: 37.3 Ų
- LogP: 2.2