Molecule ID: 162935

IUPAC Name: 3-bromo-4,5-dihydroxybenzoic acid

Description: The molecule is a dihydroxybenzoic acid that is 4,5-dihydroxybenzoic acid carrying an additional bromo substituent at position 3. It has a role as an algal metabolite and a marine xenobiotic metabolite. It is a member of bromobenzenes and a dihydroxybenzoic acid. It derives from a benzoic acid. It is a conjugate acid of a 3-bromo-4,5-dihydroxybenzoate.

SMILES: O=C(O)c1cc(O)c(O)c(Br)c1

SELFIES: [O][=C][Branch1][C][O][C][=C][C][Branch1][C][O][=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)

Molecular Properties:
- Polar Surface Area: 77.8 Ų
- LogP: 1.7