Molecule ID: 440283

IUPAC Name: 3-(3,5-dibromo-4-hydroxyphenyl)-2-oxopropanoic acid

Description: The molecule is a 2-oxo monocarboxylic acid that is pyruvic acid in which one of the methyl hydrogens is substituted by a 3,5-dibromo-4-hydroxyphenyl group. It is a 2-oxo monocarboxylic acid, a member of phenols and an organobromine compound. It derives from a pyruvic acid and a 2,6-dibromophenol.

SMILES: O=C(O)C(=O)Cc1cc(Br)c(O)c(Br)c1

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

InChI: InChI=1S/C9H6Br2O4/c10-5-1-4(2-6(11)8(5)13)3-7(12)9(14)15/h1-2,13H,3H2,(H,14,15)

Molecular Properties:
- Polar Surface Area: 74.6 Ų
- LogP: 2.3