[3-(4-Chloro-phenyl)-oxiranyl]-phenyl-methanone
Basic information
- CAS
61840-96-8- Standard SMILES
O=C(c1ccccc1)[C@@H]1O[C@H]1c1ccc(Cl)cc1- InChIKey
QZHVIBAUHZWGCS-GJZGRUSLSA-N- Molecular formula
- C15H11ClO2
- Average molar mass
- 258.7 g/mol
- Monoisotopic mass
- 258.0447573
Names & identifiers
- Preferred name
- [3-(4-Chloro-phenyl)-oxiranyl]-phenyl-methanone
- IUPAC
- [(2R,3S)-3-(4-chlorophenyl)oxiran-2-yl]-phenylmethanone
Names & synonyms
AC1LRSUXDTXSID0036310761840-96-8[3-(4-Chloro-phenyl)-oxiranyl]-phenyl-methanone[(2R,3S)-3-(4-Chlorophenyl)oxiran-2-yl](phenyl)methanone
Database identifiers
- CAS
61840-96-8- PubChem CID
- 1476950
- DTXSID
DTXSID00363107- Nikkaji
- J1.000.030K
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
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Compound notes
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