3-chloro-2-(3,5-dichlorophenyl)-2H-indazole

• ChemBase ID: 81063
• Molecular Formular: C13H7Cl3N2
• Molecular Mass: 297.56708
• Monoisotopic Mass: 295.96748127
• SMILES: n1(c2cc(cc(c2)Cl)Cl)c(c2ccccc2n1)Cl
• Canonical SMILES: Clc1cc(Cl)cc(c1)n1nc2c(c1Cl)cccc2
• InChI: InChI=1S/C13H7Cl3N2/c14-8-5-9(15)7-10(6-8)18-13(16)11-3-1-2-4-12(11)17-18/h1-7H
• InChIKey: NWZQHEKVAFBDLP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-chloro-2-(3,5-dichlorophenyl)-2H-indazole
• IUPAC Traditional name: 3-chloro-2-(3,5-dichlorophenyl)indazole
• Synonyms: 3-chloro-2-(3,5-dichlorophenyl)-2H-indazole

Database IDs

• MDL Number: MFCD00120164
• PubChem SID: 162068182
• PubChem CID: 2776901

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 4.9615326
• LogD (pH = 7.4): 4.961536
• Log P: 4.961536
• Molar Refractivity: 74.9134 cm^3
• Polarizability: 30.561674 Å^3
• Polar Surface Area: 17.82 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true