tris(4-methylphenyl)arsane

• ChemBase ID: 107154
• Molecular Formular: C21H21As
• Molecular Mass: 348.31304
• Monoisotopic Mass: 348.08592167
• SMILES: Cc1ccc(cc1)[As](c1ccc(C)cc1)c1ccc(C)cc1
• Canonical SMILES: Cc1ccc(cc1)[As](c1ccc(cc1)C)c1ccc(cc1)C
• InChI: InChI=1S/C21H21As/c1-16-4-10-19(11-5-16)22(20-12-6-17(2)7-13-20)21-14-8-18(3)9-15-21/h4-15H,1-3H3
• InChIKey: YFJORWSFSOXFQR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tris(4-methylphenyl)arsane
• IUPAC Traditional name: tris(4-methylphenyl)arsane
• Synonyms: TRI-(4-METHYLPHENYL)ARSINE

Database IDs

• CAS Number: 2896-10-8
• PubChem SID: 162093363
• PubChem CID: 76172

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 6.9582
• LogD (pH = 7.4): 6.9582
• Log P: 6.9582
• Molar Refractivity: 91.5465 cm^3
• Polarizability: 38.608143 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: false

DETAILS

MP Biomedicals - 05202746

MP Biomedicals Rare Chemical collection