Basic information
- CAS
32157-71-4- Standard SMILES
O=C(c1ccc(Br)cc1)[C@@H]1O[C@H]1c1ccccc1- InChIKey
JNLVEYCRYFQKCW-GJZGRUSLSA-N- Molecular formula
- C15H11BrO2
- Average molar mass
- 303.15 g/mol
- Monoisotopic mass
- 301.99424
Names & identifiers
- Preferred name
- 4'-Bromochalcone oxide
- IUPAC
- (4-bromophenyl)-[(2R,3S)-3-phenyloxiran-2-yl]methanone
Names & synonyms
4'-Bromochalcone oxide32157-71-4CCRIS 2222Propiophenone, 4'-bromo-2,3-epoxy-3-phenyl-, trans-DTXSID60954030(4-Bromo-phenyl)-(3-phenyl-oxiranyl)-methanone(4-Bromophenyl)[(2R,3S)-3-phenyloxiran-2-yl]methanone
Database identifiers
- CAS
32157-71-4- PubChem CID
- 147404
- DTXSID
DTXSID60954030- Nikkaji
- J1.674.478F
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 29.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 304
Experimental & physicochemical properties
SpringerMaterials PropertiesChemical structure
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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