Basic information
- Standard SMILES
CC(=O)C(=O)OCCBr- InChIKey
SXRKNKLAGDXHDA-UHFFFAOYSA-N- Molecular formula
- C5H7BrO3
- Average molar mass
- 195.01 g/mol
- Monoisotopic mass
- 193.95786
Names & identifiers
- Preferred name
- Bromoethyl pyruvate
- IUPAC
- 2-bromoethyl 2-oxopropanoate
Names & synonyms
bromoethyl pyruvate2-bromoethyl 2-oxopropanoateSCHEMBL790193SXRKNKLAGDXHDA-UHFFFAOYSA-NDB-21156929236-47-3
Database identifiers
- PubChem CID
- 86587973
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 121
Related reactions
8 records
Compound notes
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