2-chloro-4-(2-phenyldiazen-1-yl)aniline

• ChemBase ID: 79008
• Molecular Formular: C12H10ClN3
• Molecular Mass: 231.6809
• Monoisotopic Mass: 231.05632502
• SMILES: N(=N\c1ccccc1)/c1ccc(c(c1)Cl)N
• Canonical SMILES: Nc1ccc(cc1Cl)/N=N/c1ccccc1
• InChI: InChI=1S/C12H10ClN3/c13-11-8-10(6-7-12(11)14)16-15-9-4-2-1-3-5-9/h1-8H,14H2
• InChIKey: HUPIUXCRWNHLFL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-4-(2-phenyldiazen-1-yl)aniline
• IUPAC Traditional name: 2-chloro-4-(2-phenyldiazen-1-yl)aniline
• Synonyms: 2-chloro-4-(2-phenyldiaz-1-enyl)aniline

Database IDs

• MDL Number: MFCD00828739
• PubChem SID: 162043771
• PubChem CID: 2774565

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 4.1541767
• LogD (pH = 7.4): 4.1542573
• Log P: 4.1542583
• Molar Refractivity: 69.8822 cm^3
• Polarizability: 24.569916 Å^3
• Polar Surface Area: 50.74 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true