(2E)-1-(3-Bromophenyl)-3-phenylprop-2-en-1-one
Basic information
- CAS
22966-26-3- Standard SMILES
O=C(/C=C/c1ccccc1)c1cccc(Br)c1- InChIKey
JSYOJZCSZYJDIZ-MDZDMXLPSA-N- Molecular formula
- C15H11BrO
- Average molar mass
- 287.15 g/mol
- Monoisotopic mass
- 285.99933
Names & identifiers
- Preferred name
- (2E)-1-(3-Bromophenyl)-3-phenylprop-2-en-1-one
- IUPAC
- (E)-1-(3-bromophenyl)-3-phenylprop-2-en-1-one
- English name
- 2-Propen-1-one,1-(3-bromophenyl)-3-phenyl-, (2E)-
- Molecular formula
- C15H11BrO
- Molecular weight
- 287.15
Names & synonyms
22966-26-3(2E)-1-(3-Bromophenyl)-3-phenylprop-2-en-1-one(E)-1-(3-bromophenyl)-3-phenylprop-2-en-1-one3'-BromochalconeMFCD01901364NSC170289SCHEMBL9893358CHEMBL2030834DTXSID10421000NSC-170289(E)-1-(3-bromophenyl)-3-phenyl-prop-2-en-1-oneT5390562
Show more names
2-Propen-1-one,1-(3-bromophenyl)-3-phenyl-, (2E)-
Z46028817(2E)-1-(3-BROMOPHENYL)-3-PHENYL-2-PROPEN-1-ONE
Database identifiers
- CAS
22966-26-3- PubChem CID
- 5801435
- DTXSID
DTXSID10421000- ChEMBL
CHEMBL2030834- Nikkaji
- J2.270.284J、J2.427.363F
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 279
Experimental & physicochemical properties
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
Physicochemical properties
- Melting point
- 92 · 92-94 °C
- Boiling point
- 403.4 · 403.4±45.0 °C(Predicted)
- Density
- 1.393 · 1.393±0.06 g/cm3(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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