4-chloroquinolin-8-ol hydrochloride

• ChemBase ID: 292986
• Molecular Formular: C9H7Cl2NO
• Molecular Mass: 216.06398
• Monoisotopic Mass: 214.99046921
• SMILES: Cl.Oc1cccc2c1nccc2Cl
• Canonical SMILES: Clc1ccnc2c1cccc2O.Cl
• InChI: InChI=1S/C9H6ClNO.ClH/c10-7-4-5-11-9-6(7)2-1-3-8(9)12;/h1-5,12H;1H
• InChIKey: HGWBZUQMMCLIIU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-chloroquinolin-8-ol hydrochloride
• IUPAC Traditional name: 4-chloro-8-quinolinol hydrochloride
• Synonyms: 4-Chloroquinolin-8-ol hydrochloride

Database IDs

• CAS Number: 57334-61-9
• PubChem SID: 180678517
• PubChem CID: 70700934

CALCULATED PROPERTIES

• Acid pKa: 9.168919
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.424769
• LogD (pH = 7.4): 2.4239335
• Log P: 2.4313798
• Molar Refractivity: 46.765 cm^3
• Polarizability: 19.419842 Å^3
• Polar Surface Area: 33.12 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%