2-Bromo-1-phenylbutane-1,3-dione
Basic information
- CAS
57626-33-2- Standard SMILES
CC(=O)C(Br)C(=O)c1ccccc1- InChIKey
OHHOGWYNHFMXIF-UHFFFAOYSA-N- Molecular formula
- C10H9BrO2
- Average molar mass
- 241.08 g/mol
- Monoisotopic mass
- 239.97859
Names & identifiers
- Preferred name
- 2-Bromo-1-phenylbutane-1,3-dione
- IUPAC
- 2-bromo-1-phenylbutane-1,3-dione
Names & synonyms
2-bromo-1-phenylbutane-1,3-dione1,3-Butanedione, 2-bromo-1-phenyl-57626-33-2SCHEMBL330589DTXSID40331269
Database identifiers
- CAS
57626-33-2- PubChem CID
- 436852
- DTXSID
DTXSID40331269- Nikkaji
- J1.886.701J
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 34.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 207
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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