Basic information
- CAS
80356-20-3- Standard SMILES
CC(=O)C=C(C)Br- InChIKey
SFEGAWKULWWXCA-UHFFFAOYSA-N- Molecular formula
- C5H7BrO
- Average molar mass
- 163.01 g/mol
- Monoisotopic mass
- 161.96803
Names & identifiers
- Preferred name
- 3-Penten-2-one, 4-bromo-
- IUPAC
- 4-bromopent-3-en-2-one
Names & synonyms
3-Penten-2-one, 4-bromo-80356-20-3DTXSID20337047RefChem:281590DTXCID10288135SFEGAWKULWWXCA-ARJAWSKDSA-N4-bromopent-3-en-2-one
Database identifiers
- CAS
80356-20-3- PubChem CID
- 538169
- DTXSID
DTXSID20337047
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 105
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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