Basic information
- CAS
67237-71-2- Standard SMILES
Cc1ccc(C(=O)Cc2ccccc2C#N)cc1- InChIKey
QIVOSEOVDVCHKR-UHFFFAOYSA-N- Molecular formula
- C16H13NO
- Average molar mass
- 235.28 g/mol
- Monoisotopic mass
- 235.09971404
Names & identifiers
- Preferred name
- 2-[2-(4-Methylphenyl)-2-oxoethyl]benzonitrile
- IUPAC
- 2-[2-(4-methylphenyl)-2-oxoethyl]benzonitrile
Names & synonyms
67237-71-22-[2-(4-methylphenyl)-2-oxoethyl]benzonitrileNSC338459DTXSID20319005NSC-338459
Database identifiers
- CAS
67237-71-2- PubChem CID
- 334103
- DTXSID
DTXSID20319005
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 40.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 332
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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