6-chloroquinoline hydrochloride

• ChemBase ID: 293106
• Molecular Formular: C9H7Cl2N
• Molecular Mass: 200.06458
• Monoisotopic Mass: 198.99555459
• SMILES: Clc1ccc2ncccc2c1.Cl
• Canonical SMILES: Clc1ccc2c(c1)cccn2.Cl
• InChI: InChI=1S/C9H6ClN.ClH/c10-8-3-4-9-7(6-8)2-1-5-11-9;/h1-6H;1H
• InChIKey: QBYRZXJQQVDKAU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-chloroquinoline hydrochloride
• IUPAC Traditional name: 6-chloroquinoline hydrochloride
• Synonyms: 6-Chloroquinoline hydrochloride

Database IDs

• CAS Number: 55377-25-8
• MDL Number: MFCD15143630
• PubChem SID: 180678637
• PubChem CID: 53217391

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.7301278
• LogD (pH = 7.4): 2.734884
• Log P: 2.734945
• Molar Refractivity: 44.7841 cm^3
• Polarizability: 18.82815 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%