5,7-dichloroquinolin-4-ol

• ChemBase ID: 88061
• Molecular Formular: C9H5Cl2NO
• Molecular Mass: 214.0481
• Monoisotopic Mass: 212.97481915
• SMILES: n1ccc(c2c1cc(cc2Cl)Cl)O
• Canonical SMILES: Clc1cc(Cl)c2c(c1)nccc2O
• InChI: InChI=1S/C9H5Cl2NO/c10-5-3-6(11)9-7(4-5)12-2-1-8(9)13/h1-4H,(H,12,13)
• InChIKey: GESHSYASHHORJB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5,7-dichloroquinolin-4-ol
• IUPAC Traditional name: 5,7-dichloroquinolin-4-ol
• Synonyms: 5,7-Dichloroquinolin-4-ol; 5,7-Dichloro-4-hydroxyquinoline 97%; 5,7-DICHLORO-4-HYDROXYQUINOLINE

Database IDs

• CAS Number: 171850-29-6
• MDL Number: MFCD00219834
• PubChem SID: 162075101
• PubChem CID: 2736001

CALCULATED PROPERTIES

• Acid pKa: 10.102314
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.0353723
• LogD (pH = 7.4): 3.0345788
• Log P: 3.0354245
• Molar Refractivity: 51.5698 cm^3
• Polarizability: 21.304382 Å^3
• Polar Surface Area: 33.12 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant

Product Information

• Purity: 98%