tris(3-methylphenyl)arsane

• ChemBase ID: 107153
• Molecular Formular: C21H21As
• Molecular Mass: 348.31304
• Monoisotopic Mass: 348.08592167
• SMILES: Cc1cccc(c1)[As](c1cccc(C)c1)c1cc(C)ccc1
• Canonical SMILES: Cc1cccc(c1)[As](c1cccc(c1)C)c1cccc(c1)C
• InChI: InChI=1S/C21H21As/c1-16-7-4-10-19(13-16)22(20-11-5-8-17(2)14-20)21-12-6-9-18(3)15-21/h4-15H,1-3H3
• InChIKey: HTNUTGWZKFWGTF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tris(3-methylphenyl)arsane
• IUPAC Traditional name: tris(3-methylphenyl)arsane
• Synonyms: TRI(3-METHYLPHENYL)ARSINE

Database IDs

• PubChem SID: 162106003
• PubChem CID: 13081287

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: 38.60879 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: false

DETAILS

MP Biomedicals - 05202745

MP Biomedicals Rare Chemical collection