4-Cyano-4-(4-fluorophenyl)cyclohexanone

• CAS: 56326-98-8
• Catalog Number: ACM56326988
• Category: Other Products
• Molecular Weight: 217.23
• Molecular Formula: C₁₃H₁₂FNO
• Synonyms: EINECS 260-111-7, CID91805, 1-(4-Fluorophenyl)-4-oxocyclohexanecarbonitrile, 56326-98-8
• IUPAC Name: 1-(4-fluorophenyl)-4-oxocyclohexane-1-carbonitrile
• Canonical SMILES: C1CC(CCC1=O)(C#N)C2=CC=C(C=C2)F
• InChI Key: FNWWTNNFZGBMEM-UHFFFAOYSA-N
• Boiling Point: 373.6ºC at 760mmHg
• Melting Point: 91-94ºC
• Flash Point: 179.8ºC
• Density: 1.19g/cm³
• EC Number: 260-111-7
• Exact Mass: 217.09000
• H-Bond Acceptor: 3
• H-Bond Donor: 0
• Packing Group: III