4,4'-Biphenyldicarbonitrile

• Catalog Number: ACM1591306
• Product Name: 4,4'-Biphenyldicarbonitrile
• CAS: 1591-30-6
• Category: Other
• IUPAC Name: 4-(4-cyanophenyl)benzonitrile
• Molecular Weight: 204.23g/mol
• Molecular Formula: C14H8N2
• Canonical SMILES: C1=CC(=CC=C1C#N)C2=CC=C(C=C2)C#N
• InChI: InChI=1S/C14H8N2/c15-9-11-1-5-13(6-2-11)14-7-3-12(10-16)4-8-14/h1-8H
• InChI Key: KAXYYLCSSXFXKR-UHFFFAOYSA-N
• Melting Point: 238.0 °C
• Complexity: 279
• Covalently-Bonded Unit Count: 1
• EC Number: 216-468-6
• Exact Mass: 204.068748g/mol
• Formal Charge: 0
• H-Bond Acceptor: 2
• H-Bond Donor: 0
• Heavy Atom Count: 16
• Monoisotopic Mass: 204.068748g/mol
• NSC Number: 87879
• Rotatable Bond Count: 1
• XLogP3: 3.8