2-(4-Methoxyphenyl)-2-(4-nitrophenyl)acetonitrile
Basic information
- CAS
7702-82-1- Standard SMILES
COc1ccc(C(C#N)c2ccc([N+](=O)[O-])cc2)cc1- InChIKey
OMSWKLSTNUQNGN-UHFFFAOYSA-N- Molecular formula
- C15H12N2O3
- Average molar mass
- 268.27 g/mol
- Monoisotopic mass
- 268.08479225
Names & identifiers
- Preferred name
- 2-(4-Methoxyphenyl)-2-(4-nitrophenyl)acetonitrile
- IUPAC
- 2-(4-methoxyphenyl)-2-(4-nitrophenyl)acetonitrile
Names & synonyms
7702-82-12-(4-methoxyphenyl)-2-(4-nitrophenyl)acetonitrileNSC405900DTXSID40324156NSC-405900(4-Methoxyphenyl)(4-nitrophenyl)acetonitrile
Database identifiers
- CAS
7702-82-1- PubChem CID
- 347295
- DTXSID
DTXSID40324156- Nikkaji
- J837.013C
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 78.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 368
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Compound notes
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