7,8-dichloroquinolin-2-ol

• ChemBase ID: 247528
• Molecular Formular: C9H5Cl2NO
• Molecular Mass: 214.0481
• Monoisotopic Mass: 212.97481915
• SMILES: c12c(c(ccc2ccc(n1)O)Cl)Cl
• Canonical SMILES: Oc1ccc2c(n1)c(Cl)c(cc2)Cl
• InChI: InChI=1S/C9H5Cl2NO/c10-6-3-1-5-2-4-7(13)12-9(5)8(6)11/h1-4H,(H,12,13)
• InChIKey: DIEDZHYTEWMTDR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7,8-dichloroquinolin-2-ol
• IUPAC Traditional name: 7,8-dichloroquinolin-2-ol
• Synonyms: 7,8-dichloroquinolin-2-ol

Database IDs

• MDL Number: MFCD19678313
• PubChem SID: 164303438
• PubChem CID: 64210512

CALCULATED PROPERTIES

• Acid pKa: 11.840231
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.6298814
• LogD (pH = 7.4): 3.6298664
• Log P: 3.629882
• Molar Refractivity: 51.8833 cm^3
• Polarizability: 21.339828 Å^3
• Polar Surface Area: 33.12 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 241 - 243°C
• Hydrophobicity(logP): 2.316

Product Information

• Purity: 95%