Basic information
- CAS
71183-36-3- Standard SMILES
C[C@H](Br)C(=O)C(=O)O- InChIKey
YQKNRMUYNFVEGP-REOHCLBHSA-N- Molecular formula
- C4H5BrO3
- Average molar mass
- 180.98 g/mol
- Monoisotopic mass
- 179.94221
Overview
acts as analog of pyruvate with various pyruvate lyases
Names & identifiers
- Preferred name
- 2-Keto-3-bromobutyrate
- IUPAC
- (3S)-3-bromo-2-oxobutanoic acid
Names & synonyms
2-Keto-3-bromobutyrate71183-36-3DTXSID90221383Butanoic acid, 3-bromo-2-oxo-, (S)-RefChem:87751DTXCID90143874(3s)-3-bromo-2-oxobutanoic acid
Database identifiers
- CAS
71183-36-3- PubChem CID
- 191968
- DTXSID
DTXSID90221383
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 54.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 120
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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