Molecule ID: 54710054

IUPAC Name: 2-bromo-4-carboxyphenolate

Description: The molecule is a monohydroxybenzoate that is the conjugate base of 3-bromo-4-hydroxybenzoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. It derives from a benzoate. It is a conjugate base of a 3-bromo-4-hydroxybenzoic acid.

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

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

InChI: InChI=1S/C7H5BrO3/c8-5-3-4(7(10)11)1-2-6(5)9/h1-3,9H,(H,10,11)/p-1

Molecular Properties:
- Polar Surface Area: 60.4 Ų
- LogP: 2.4