diphenylarsanecarbonitrile

• ChemBase ID: 127131
• Molecular Formular: C13H10AsN
• Molecular Mass: 255.1468
• Monoisotopic Mass: 255.00292033
• SMILES: c1ccc(cc1)[As](C#N)c1ccccc1
• Canonical SMILES: N#C[As](c1ccccc1)c1ccccc1
• InChI: InChI=1S/C13H10AsN/c15-11-14(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10H
• InChIKey: BDHNJKLLVSRGDK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: diphenylarsanecarbonitrile
• IUPAC Systematic name: Diphenylarsanecarbonitrile
• IUPAC Traditional name: diphenylcyanoarsine
• Synonyms: Clark 2; Diphenylarsinecarbonitrile; Diphenylarsine cyanide; Di(phenyl)arsanylformonitrile; Diphenylcyanoarsine; Diphenylcyanoarsine

Database IDs

• CAS Number: 23525-22-6
• EC Number: 245-716-6
• PubChem SID: 162221453
• PubChem CID: 64506
• Chemspider ID: 58070
• MeSH Name: Clark+2
• Wikipedia Title: Diphenylcyanoarsine

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.8445
• LogD (pH = 7.4): 3.8445
• Log P: 3.8445
• Molar Refractivity: 57.6042 cm^3
• Polarizability: 25.397543 Å^3
• Polar Surface Area: 23.79 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true