4-chloro-2-(trichloromethyl)quinoline

• ChemBase ID: 816029
• Molecular Formular: C10H5Cl4N
• Molecular Mass: 280.9654
• Monoisotopic Mass: 278.91760989
• SMILES: c1cc2c(cc1)c(cc(n2)C(Cl)(Cl)Cl)Cl
• Canonical SMILES: Clc1cc(nc2c1cccc2)C(Cl)(Cl)Cl
• InChI: InChI=1S/C10H5Cl4N/c11-7-5-9(10(12,13)14)15-8-4-2-1-3-6(7)8/h1-5H
• InChIKey: AAAIMZMBCBBTQL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-chloro-2-(trichloromethyl)quinoline
• IUPAC Traditional name: 4-chloro-2-(trichloromethyl)quinoline
• Synonyms: 4-CHLORO-2-TRICHLOROMETHYL-QUINOLINE

Database IDs

• CAS Number: 35871-17-1

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 4.6186705
• LogD (pH = 7.4): 4.6187034
• Log P: 4.618704
• Molar Refractivity: 64.8902 cm^3
• Polarizability: 26.20274 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%