4,7-dichloro-2-methylquinoline

• ChemBase ID: 816030
• Molecular Formular: C10H7Cl2N
• Molecular Mass: 212.07528
• Monoisotopic Mass: 210.99555459
• SMILES: c1(cc2c(cc1)c(cc(n2)C)Cl)Cl
• Canonical SMILES: Clc1ccc2c(c1)nc(cc2Cl)C
• InChI: InChI=1S/C10H7Cl2N/c1-6-4-9(12)8-3-2-7(11)5-10(8)13-6/h2-5H,1H3
• InChIKey: QTYCALFKBCOYLW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4,7-dichloro-2-methylquinoline
• IUPAC Traditional name: 4,7-dichloro-2-methylquinoline
• Synonyms: 4,7-DICHLORO-2-METHYLQUINOLINE

Database IDs

• CAS Number: 50593-69-6

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.4679534
• LogD (pH = 7.4): 3.4703295
• Log P: 3.47036
• Molar Refractivity: 54.1804 cm^3
• Polarizability: 22.442019 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%