Basic information
- CAS
4336-57-6- Standard SMILES
O=[N+]([O-])c1ccc(C2OC2c2ccccc2)cc1- InChIKey
YUZKNYLREGXARL-UHFFFAOYSA-N- Molecular formula
- C14H11NO3
- Average molar mass
- 241.24 g/mol
- Monoisotopic mass
- 241.07389321
Names & identifiers
- Preferred name
- 2-(4-Nitrophenyl)-3-phenyloxirane
- IUPAC
- 2-(4-nitrophenyl)-3-phenyloxirane
Names & synonyms
4336-57-62-(4-Nitrophenyl)-3-phenyloxirane2-Phenyl-3-(4-nitrophenyl)-oxiranep-nitrophenyl styrene oxideSCHEMBL2934676DTXSID40962996YUZKNYLREGXARL-UHFFFAOYSA-NBibenzyl,.alpha.'-epoxy-4-nitro-NSC1446242-(4-Nitrophenyl)-3-phenyloxirane #NSC-144624
Database identifiers
- CAS
4336-57-6- PubChem CID
- 98002
- DTXSID
DTXSID40962996- Nikkaji
- J1.969.845I
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 58.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 301
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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