Basic information
- CAS
7599-05-5- Standard SMILES
N#CC(c1ccccc1)c1ccc([N+](=O)[O-])cc1- InChIKey
DZRUHJSVLPGCMS-UHFFFAOYSA-N- Molecular formula
- C14H10N2O2
- Average molar mass
- 238.24 g/mol
- Monoisotopic mass
- 238.07422757
Names & identifiers
- Preferred name
- 2-(4-Nitrophenyl)-2-phenylacetonitrile
- IUPAC
- 2-(4-nitrophenyl)-2-phenylacetonitrile
Names & synonyms
MLS0031715847599-05-52-(4-nitrophenyl)-2-phenylacetonitrileNSC4058984-nitrophenylphenylcyano-methaneSCHEMBL4839451CHEMBL2362132DTXSID20324154(4-Nitrophenyl)(phenyl)acetonitrileNSC-405898SMR001875466
Database identifiers
- CAS
7599-05-5- PubChem CID
- 347293
- DTXSID
DTXSID20324154- ChEMBL
CHEMBL2362132- Nikkaji
- J511.714C
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 69.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 327
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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