6,7-dichloro-2-methylquinolin-4-ol

• ChemBase ID: 805250
• Molecular Formular: C10H7Cl2NO
• Molecular Mass: 228.07468
• Monoisotopic Mass: 226.99046921
• SMILES: c1(cc2c(cc1Cl)c(cc(n2)C)O)Cl
• Canonical SMILES: Cc1cc(O)c2c(n1)cc(c(c2)Cl)Cl
• InChI: InChI=1S/C10H7Cl2NO/c1-5-2-10(14)6-3-7(11)8(12)4-9(6)13-5/h2-4H,1H3,(H,13,14)
• InChIKey: XZAAGMJDSBHAKQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6,7-dichloro-2-methylquinolin-4-ol
• IUPAC Traditional name: 6,7-dichloro-2-methylquinolin-4-ol
• Synonyms: 6,7-DICHLORO-2-METHYL-4-QUINOLINOL

Database IDs

• CAS Number: 948294-27-7

CALCULATED PROPERTIES

• Acid pKa: 10.629176
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.1667244
• LogD (pH = 7.4): 3.166542
• Log P: 3.1667948
• Molar Refractivity: 56.1613 cm^3
• Polarizability: 23.076506 Å^3
• Polar Surface Area: 33.12 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%