2,6-dichloro-3-(chloromethyl)quinoline

• ChemBase ID: 805130
• Molecular Formular: C10H6Cl3N
• Molecular Mass: 246.52034
• Monoisotopic Mass: 244.95658224
• SMILES: c1cc2c(cc1Cl)cc(c(n2)Cl)CCl
• Canonical SMILES: ClCc1cc2cc(Cl)ccc2nc1Cl
• InChI: InChI=1S/C10H6Cl3N/c11-5-7-3-6-4-8(12)1-2-9(6)14-10(7)13/h1-4H,5H2
• InChIKey: BFAPZANHIDQHLK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,6-dichloro-3-(chloromethyl)quinoline
• IUPAC Traditional name: 2,6-dichloro-3-(chloromethyl)quinoline
• Synonyms: 3-CHLOROMETHYL-2,6-DICHLOROQUINOLINE

Database IDs

• CAS Number: 948290-83-3

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 4.1464086
• LogD (pH = 7.4): 4.146409
• Log P: 4.146409
• Molar Refractivity: 60.5171 cm^3
• Polarizability: 24.39893 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%