7,8-dichloroquinolin-4-ol

• ChemBase ID: 816051
• Molecular Formular: C9H5Cl2NO
• Molecular Mass: 214.0481
• Monoisotopic Mass: 212.97481915
• SMILES: c1(c(c2c(cc1)c(ccn2)O)Cl)Cl
• Canonical SMILES: Clc1ccc2c(c1Cl)nccc2O
• InChI: InChI=1S/C9H5Cl2NO/c10-6-2-1-5-7(13)3-4-12-9(5)8(6)11/h1-4H,(H,12,13)
• InChIKey: BAKZFDCDUQGTCL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7,8-dichloroquinolin-4-ol
• IUPAC Traditional name: 7,8-dichloroquinolin-4-ol
• Synonyms: 7,8-DICHLORO-4-HYDROXYQUINOLINE

Database IDs

• CAS Number: 871217-91-3

CALCULATED PROPERTIES

• Acid pKa: 10.524368
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.0354075
• LogD (pH = 7.4): 3.035104
• Log P: 3.0354245
• Molar Refractivity: 51.5698 cm^3
• Polarizability: 21.339945 Å^3
• Polar Surface Area: 33.12 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%