Molecule ID: 70684

IUPAC Name: 3-bromo-2-oxopropanoic acid

Description: The molecule is a 2-oxo monocarboxylic acid that is pyruvic acid in which one of the methyl hydrogens is replaced by bromine. Synthetic brominated derivative and structural analog of pyruvic acid. Highly reactive alkylating agent. Anti-cancer drug It has a role as an alkylating agent and an antineoplastic agent. It is a 2-oxo monocarboxylic acid and an organobromine compound. It derives from a pyruvic acid. It is a conjugate acid of a 3-bromopyruvate.

SMILES: O=C(O)C(=O)CBr

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

InChI: InChI=1S/C3H3BrO3/c4-1-2(5)3(6)7/h1H2,(H,6,7)

Molecular Properties:
- Polar Surface Area: 54.4 Ų
- LogP: 0.5