{4-[2-(4-arsonophenyl)diazen-1-yl]phenyl}arsonic acid

• ChemBase ID: 128786
• Molecular Formular: C12H12As2N2O6
• Molecular Mass: 430.07668
• Monoisotopic Mass: 429.91272811
• SMILES: O[As](=O)(O)c1ccc(/N=N/c2ccc(cc2)[As](=O)(O)O)cc1
• Canonical SMILES: O[As](=O)(c1ccc(cc1)/N=N/c1ccc(cc1)[As](=O)(O)O)O
• InChI: InChI=1S/C12H12As2N2O6/c17-13(18,19)9-1-5-11(6-2-9)15-16-12-7-3-10(4-8-12)14(20,21)22/h1-8H,(H2,17,18,19)(H2,20,21,22)
• InChIKey: ITRMROGJSNWFKO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {4-[2-(4-arsonophenyl)diazen-1-yl]phenyl}arsonic acid
• IUPAC Systematic name: {4-[2-(4-Arsonophenyl)diazen-1-yl]phenyl}arsonic acid
• IUPAC Traditional name: P-azobenzenearsonate
• Synonyms: P-Azobenzenearsonate

Database IDs

• CAS Number: 7334-23-8
• Beilstein Number: 3161641
• PubChem SID: 162223090
• PubChem CID: 23749
• CHEBI ID: 53554
• Chemspider ID: 22205
• MeSH Name: p-Azobenzenearsonate
• Wikipedia Title: P-Azobenzenearsonate

CALCULATED PROPERTIES

• Acid pKa: 3.088929
• H Acceptors: 8
• H Donor: 4
• LogD (pH = 5.5): -1.6534637
• LogD (pH = 7.4): -2.4411402
• Log P: 2.1122
• Molar Refractivity: 72.3538 cm^3
• Polarizability: 32.7731 Å^3
• Polar Surface Area: 139.78 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true