Methanone, (4-nitrophenyl)(3-phenyloxiranyl)-, trans-
Basic information
- CAS
41069-00-5- Standard SMILES
O=C(c1ccc([N+](=O)[O-])cc1)[C@@H]1O[C@H]1c1ccccc1- InChIKey
KEBNCTLOOPZUKN-GJZGRUSLSA-N- Molecular formula
- C15H11NO4
- Average molar mass
- 269.25 g/mol
- Monoisotopic mass
- 269.06880783
Names & identifiers
- Preferred name
- Methanone, (4-nitrophenyl)(3-phenyloxiranyl)-, trans-
- IUPAC
- (4-nitrophenyl)-[(2R,3S)-3-phenyloxiran-2-yl]methanone
Names & synonyms
4'-Nitrochalcone oxide41069-00-5trans-4'-Nitrochalcone oxideCCRIS 2235trans-2,3-Epoxy-4'-nitro-3-phenylpropiophenonePropiophenone, 2,3-epoxy-4'-nitro-3-phenyl-, trans-Methanone, (4-nitrophenyl)(3-phenyloxiranyl)-, trans-DTXSID60961426(4-nitrophenyl)(3-phenyloxiran-2-yl)methanone(4-Nitro-phenyl)-(3-phenyl-oxiranyl)-methanone(4-Nitrophenyl)[(2R,3S)-3-phenyloxiran-2-yl]methanone
Database identifiers
- CAS
41069-00-5- PubChem CID
- 148405
- DTXSID
DTXSID60961426- Nikkaji
- J2.947.083I
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 75.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 378
Experimental & physicochemical properties
SpringerMaterials PropertiesChemical structure
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Related reactions
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Compound notes
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