1-chloro-10H-phenoxarsinin-10-yl

• ChemBase ID: 107001
• Molecular Formular: C12H7AsClO
• Molecular Mass: 277.55798
• Monoisotopic Mass: 276.94013852
• SMILES: Clc1cccc2c1[As]c1ccccc1O2
• Canonical SMILES: Clc1cccc2c1[As]c1ccccc1O2
• InChI: InChI=1S/C12H7AsClO/c14-9-5-3-7-11-12(9)13-8-4-1-2-6-10(8)15-11/h1-7H
• InChIKey: UHGNARJEJDKEBE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-chloro-10H-phenoxarsinin-10-yl
• IUPAC Traditional name: 1-chloro-10H-phenoxarsinin-10-yl
• Synonyms: CHLOROPHENOXARSINE

Database IDs

• CAS Number: 2865-70-5
• PubChem SID: 162088321
• PubChem CID: 25021416

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.8548
• LogD (pH = 7.4): 3.8548
• Log P: 3.8548
• Molar Refractivity: 55.9362 cm^3
• Polarizability: 25.3076 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

DETAILS

MP Biomedicals - 05202185

MP Biomedicals Rare Chemical collection