6,7-dichloroquinolin-4-ol

• ChemBase ID: 816050
• Molecular Formular: C9H5Cl2NO
• Molecular Mass: 214.0481
• Monoisotopic Mass: 212.97481915
• SMILES: c1(cc2c(cc1Cl)c(ccn2)O)Cl
• Canonical SMILES: Clc1cc2c(O)ccnc2cc1Cl
• InChI: InChI=1S/C9H5Cl2NO/c10-6-3-5-8(4-7(6)11)12-2-1-9(5)13/h1-4H,(H,12,13)
• InChIKey: OIBDGJOVXZXMSP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6,7-dichloroquinolin-4-ol
• IUPAC Traditional name: 6,7-dichloroquinolin-4-ol
• Synonyms: 4-HYDROXY-6,7-DICHLOROQUINOLINE

Database IDs

• CAS Number: 203626-51-1

CALCULATED PROPERTIES

• Acid pKa: 10.463623
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.0353944
• LogD (pH = 7.4): 3.0350559
• Log P: 3.0354245
• Molar Refractivity: 51.5698 cm^3
• Polarizability: 21.316225 Å^3
• Polar Surface Area: 33.12 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%