Molecule ID: 5787

IUPAC Name: 2,4-dichlorobenzoic acid

Description: The molecule is a chlorobenzoic acid that is benzoic acid in which the ring hydrogens at positions 2 and 4 are substituted by chloro groups. It has a role as a bacterial metabolite. It is a dichlorobenzene and a chlorobenzoic acid. It derives from a benzoic acid. It is a conjugate acid of a 2,4-dichlorobenzoate.

SMILES: O=C(O)c1ccc(Cl)cc1Cl

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

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

Molecular Properties:
- Polar Surface Area: 37.3 Ų
- LogP: 2.8