Molecule ID: 21650627

IUPAC Name: 2-bromobutanedioate

Description: The molecule is a dicarboxylic acid dianion obtained by deprotonation of the two carboxy goups of bromosuccinic acid. It derives from a succinate(2-). It is a conjugate base of a bromosuccinic acid.

SMILES: O=C([O-])CC(Br)C(=O)[O-]

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

InChI: InChI=1S/C4H5BrO4/c5-2(4(8)9)1-3(6)7/h2H,1H2,(H,6,7)(H,8,9)/p-2

Molecular Properties:
- Polar Surface Area: 80.3 Ų
- LogP: 1.4