6,8-dichloroquinolin-4-ol

• ChemBase ID: 816033
• Molecular Formular: C9H5Cl2NO
• Molecular Mass: 214.0481
• Monoisotopic Mass: 212.97481915
• SMILES: c1c(c2c(cc1Cl)c(ccn2)O)Cl
• Canonical SMILES: Clc1cc(Cl)c2c(c1)c(O)ccn2
• InChI: InChI=1S/C9H5Cl2NO/c10-5-3-6-8(13)1-2-12-9(6)7(11)4-5/h1-4H,(H,12,13)
• InChIKey: LXZBIKOKMYPBAN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6,8-dichloroquinolin-4-ol
• IUPAC Traditional name: 6,8-dichloroquinolin-4-ol
• Synonyms: 4-HYDROXY-6,8-DICHLOROQUINOLINE

Database IDs

• CAS Number: 396116-36-2

CALCULATED PROPERTIES

• Acid pKa: 10.341867
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.0354118
• LogD (pH = 7.4): 3.0349371
• Log P: 3.0354245
• Molar Refractivity: 51.5698 cm^3
• Polarizability: 21.30847 Å^3
• Polar Surface Area: 33.12 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%