N-cyano-N-phenylformamide

• ChemBase ID: 108182
• Molecular Formular: C8H6N2O
• Molecular Mass: 146.14604
• Monoisotopic Mass: 146.04801282
• SMILES: O=CN(C#N)c1ccccc1
• Canonical SMILES: O=CN(c1ccccc1)C#N
• InChI: InChI=1S/C8H6N2O/c9-6-10(7-11)8-4-2-1-3-5-8/h1-5,7H
• InChIKey: UFLMFAGALQZNOV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyano-N-phenylformamide
• IUPAC Traditional name: N-cyano-N-phenylformamide
• Synonyms: N-(PHENYL)CYANOFORMAMIDE

Database IDs

• CAS Number: 13974-62-4
• PubChem SID: 162095469
• PubChem CID: 25022048

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.00684
• LogD (pH = 7.4): 1.00684
• Log P: 1.00684
• Molar Refractivity: 40.5053 cm^3
• Polarizability: 15.046524 Å^3
• Polar Surface Area: 44.1 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

DETAILS

MP Biomedicals - 05206363

MP Biomedicals Rare Chemical collection