4,6-dichloro-8-methylquinoline

• ChemBase ID: 309384
• Molecular Formular: C10H7Cl2N
• Molecular Mass: 212.07528
• Monoisotopic Mass: 210.99555459
• SMILES: c12c(c(cc(c1)Cl)C)nccc2Cl
• Canonical SMILES: Clc1cc(C)c2c(c1)c(Cl)ccn2
• InChI: InChI=1S/C10H7Cl2N/c1-6-4-7(11)5-8-9(12)2-3-13-10(6)8/h2-5H,1H3
• InChIKey: UQFDVOVNYBYJJY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4,6-dichloro-8-methylquinoline
• IUPAC Traditional name: 4,6-dichloro-8-methylquinoline
• Synonyms: 4,6-dichloro-8-methylquinoline

Database IDs

• CAS Number: 948292-34-0
• MDL Number: MFCD09787695

CALCULATED PROPERTIES

• Rotatable Bonds: 0
• Lipinski's Rule of Five: true
• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.85196
• LogD (pH = 7.4): 3.8524055
• Log P: 3.8524113
• Molar Refractivity: 54.6301 cm^3
• Polarizability: 22.437294 Å^3
• Polar Surface Area: 12.89 Å^2

PROPERTIES

Product Information

• Purity: 98%