(3-methylphenyl)(phenyl)diazene

• ChemBase ID: 109336
• Molecular Formular: C13H12N2
• Molecular Mass: 196.24778
• Monoisotopic Mass: 196.10004839
• SMILES: Cc1cc(ccc1)/N=N/c1ccccc1
• Canonical SMILES: Cc1cccc(c1)/N=N/c1ccccc1
• InChI: InChI=1S/C13H12N2/c1-11-6-5-9-13(10-11)15-14-12-7-3-2-4-8-12/h2-10H,1H3
• InChIKey: VCCPFNMAICRKLQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3-methylphenyl)(phenyl)diazene
• IUPAC Traditional name: (3-methylphenyl)(phenyl)diazene
• Synonyms: m-AZOTOLUENE

Database IDs

• CAS Number: 588-04-5
• EC Number: 209-609-8
• PubChem SID: 162096117
• PubChem CID: 25113243

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 4.892557
• LogD (pH = 7.4): 4.892561
• Log P: 4.892561
• Molar Refractivity: 65.4182 cm^3
• Polarizability: 23.363398 Å^3
• Polar Surface Area: 24.72 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

DETAILS

MP Biomedicals - 05210685

MP Biomedicals Rare Chemical collection