2-(2-Chlorophenyl)-4-oxo-4-phenylbutanenitrile
2-(2-chlorophenyl)-4-oxo-4-phenylbutanenitrile
Also Known As: 2-(2-chlorophenyl)-4-oxo-4-phenylbutanenitrile|1-Phenyl-3-(2-chlorophenyl)-3-cyano-1-propanone|J2.834.443K
CAS: 3300-68-3
| Molecular Formula | C16H12ClNO |
|---|---|
| Molecular Weight | 269.06073 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 40.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 269.06073 |
| Monoisotopic Mass | 269.06073 |
| Heavy Atoms | 19 |
| Complexity | 353.0 |
Chemical Identifiers
| CAS Number | 3300-68-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)CC(C#N)C2=CC=CC=C2Cl |
| InChIKey | IERKUBFHQMKYFL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Biotechnology (1 patents)
Organic Building Blocks (2 patents)
Pharmaceutical Intermediates (2 patents)
Product Overview
2-(2-Chlorophenyl)-4-oxo-4-phenylbutanenitrile (CAS 3300-68-3), with molecular formula C16H12ClNO and molecular weight 269.06073 g/mol. IUPAC: 2-(2-chlorophenyl)-4-oxo-4-phenylbutanenitrile.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
View MSDS →
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