4,6-dichloro-2-(trichloromethyl)quinoline

• ChemBase ID: 816037
• Molecular Formular: C10H4Cl5N
• Molecular Mass: 315.41046
• Monoisotopic Mass: 312.87863753
• SMILES: c1cc2c(cc1Cl)c(cc(n2)C(Cl)(Cl)Cl)Cl
• Canonical SMILES: Clc1ccc2c(c1)c(Cl)cc(n2)C(Cl)(Cl)Cl
• InChI: InChI=1S/C10H4Cl5N/c11-5-1-2-8-6(3-5)7(12)4-9(16-8)10(13,14)15/h1-4H
• InChIKey: FHXKVGZILZNOCZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4,6-dichloro-2-(trichloromethyl)quinoline
• IUPAC Traditional name: 4,6-dichloro-2-(trichloromethyl)quinoline
• Synonyms: 4,6-DICHLORO-2-TRICHLOROMETHYL-QUINOLINE

Database IDs

• CAS Number: 93600-20-5

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 5.2227445
• LogD (pH = 7.4): 5.2227483
• Log P: 5.2227483
• Molar Refractivity: 69.695 cm^3
• Polarizability: 28.137497 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Purity: 98%