4-Cyano-4-nonylbiphenyl

• Catalog Number: ACM52709850
• Product Name: 4-Cyano-4-nonylbiphenyl
• CAS: 52709-85-0
• Category: Heterocyclic Organic Compound
• Synonyms: 4-CYANO-4N-NONYLBIPHENYL;4-CYANO-4-NONYLBIPHENYL;4-N-NONYL-BIPHENYL-4-CARBONITRILE;9CB;[1,1-Biphenyl]-4-carbonitrile, 4-nonyl-;1'-biphenyl]-4-carbonitrile,4'-nonyl-[;4'-nonyl-4-cyano-1,1'-biphenyl;4-cyano-4'-nonyl-1,1'-biphenyl
• IUPAC Name: 4-(4-nonylphenyl)benzonitrile
• Molecular Weight: 305.5g/mol
• Molecular Formula: C22H27N
• Canonical SMILES: CCCCCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C#N
• InChI: InChI=1S/C22H27N/c1-2-3-4-5-6-7-8-9-19-10-14-21(15-11-19)22-16-12-20(18-23)13-17-22/h10-17H,2-9H2,1H3
• InChI Key: REDSMJNHKIHBTE-UHFFFAOYSA-N
• Complexity: 336
• Covalently-Bonded Unit Count: 1
• EC Number: 258-121-1
• Exact Mass: 305.21435g/mol
• Formal Charge: 0
• H-Bond Acceptor: 1
• H-Bond Donor: 0
• Heavy Atom Count: 23
• Monoisotopic Mass: 305.21435g/mol
• Rotatable Bond Count: 9
• XLogP3: 7.9