Molecule ID: 131841559

IUPAC Name: 2-bromo-4-carboxy-6-hydroxyphenolate

Description: The molecule is a dihydroxybenzoate that is the conjugate base of 3-bromo-4,5-dihydroxybenzoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. It is a conjugate base of a 3-bromo-4,5-dihydroxybenzoic acid.

SMILES: O=C(O)c1cc([O-])c(O)c(Br)c1

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

InChI: InChI=1S/C7H5BrO4/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2,9-10H,(H,11,12)/p-1

Molecular Properties:
- Polar Surface Area: 80.6 Ų
- LogP: 2.1