1-chloro-4-[1-(4-chlorophenyl)-1-oxo-1$l^{5},2-diazen-2-yl]benzene

• ChemBase ID: 80978
• Molecular Formular: C12H8Cl2N2O
• Molecular Mass: 267.11072
• Monoisotopic Mass: 266.00136825
• SMILES: [N+](=N\c1ccc(cc1)Cl)(/c1ccc(cc1)Cl)\[O-]
• Canonical SMILES: Clc1ccc(cc1)/N=[N+](/c1ccc(cc1)Cl)\[O-]
• InChI: InChI=1S/C12H8Cl2N2O/c13-9-1-5-11(6-2-9)15-16(17)12-7-3-10(14)4-8-12/h1-8H
• InChIKey: NMAZIJPSESMWSA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-chloro-4-[1-(4-chlorophenyl)-1-oxo-1$l^{5},2-diazen-2-yl]benzene
• IUPAC Traditional name: 1-chloro-4-[1-(4-chlorophenyl)-1-oxo-1$l^{5},2-diazen-2-yl]benzene
• Synonyms: 1,2-di(4-chlorophenyl)diaz-1-en-1-ium-1-olate

Database IDs

• MDL Number: MFCD00018597
• PubChem SID: 162068097
• PubChem CID: 11960

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 4.118232
• LogD (pH = 7.4): 4.118232
• Log P: 4.118232
• Molar Refractivity: 70.7337 cm^3
• Polarizability: 25.808804 Å^3
• Polar Surface Area: 41.11 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true