2-Butenoic acid, 3-bromo-2-chloro-4-oxo-
Basic information
- CAS
51742-42-8- Standard SMILES
O=CC(Br)=C(Cl)C(=O)O- InChIKey
ALLBBCMVBCVCKG-UHFFFAOYSA-N- Molecular formula
- C4H2BrClO3
- Average molar mass
- 213.41 g/mol
- Monoisotopic mass
- 211.88758
Names & identifiers
- Preferred name
- 2-Butenoic acid, 3-bromo-2-chloro-4-oxo-
- IUPAC
- 3-bromo-2-chloro-4-oxobut-2-enoic acid
Names & synonyms
51742-42-82-Butenoic acid, 3-bromo-2-chloro-4-oxo-DTXSID6013582703-Bromo-2-chloro-4-oxo-2-butenoic acid
Database identifiers
- CAS
51742-42-8- PubChem CID
- 94545
- DTXSID
DTXSID601358270
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 54.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 175
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Compound notes
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