Molecule ID: 6950171

IUPAC Name: 3,4-dichlorobenzoate

Description: The molecule is a chlorobenzoate obtained by deprotonation of the carboxy group of 3,4-dichlorobenzoic acid. The major species at pH 7.3. It is a conjugate base of a 3,4-dichlorobenzoic acid.

SMILES: O=C([O-])c1ccc(Cl)c(Cl)c1

SELFIES: [O][=C][Branch1][C][O-1][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2]

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

Molecular Properties:
- Polar Surface Area: 40.1 Ų
- LogP: 4.1