3-chloro-2-(3-chlorophenyl)-2H-indazole

• ChemBase ID: 81075
• Molecular Formular: C13H8Cl2N2
• Molecular Mass: 263.12202
• Monoisotopic Mass: 262.00645363
• SMILES: n1(c2cccc(c2)Cl)c(c2ccccc2n1)Cl
• Canonical SMILES: Clc1cccc(c1)n1nc2c(c1Cl)cccc2
• InChI: InChI=1S/C13H8Cl2N2/c14-9-4-3-5-10(8-9)17-13(15)11-6-1-2-7-12(11)16-17/h1-8H
• InChIKey: YHOKDYKPAGPHNZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-chloro-2-(3-chlorophenyl)-2H-indazole
• IUPAC Traditional name: 3-chloro-2-(3-chlorophenyl)indazole
• Synonyms: 3-chloro-2-(3-chlorophenyl)-2H-indazole

Database IDs

• MDL Number: MFCD00120175
• PubChem SID: 162068194
• PubChem CID: 2776909

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 4.357488
• LogD (pH = 7.4): 4.3574915
• Log P: 4.3574915
• Molar Refractivity: 70.1086 cm^3
• Polarizability: 28.6987 Å^3
• Polar Surface Area: 17.82 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true