8-chloro-2-(2,4-dichlorophenyl)quinoline-4-carbonyl chloride

• ChemBase ID: 56607
• Molecular Formular: C16H7Cl4NO
• Molecular Mass: 371.04488
• Monoisotopic Mass: 368.92817457
• SMILES: n1c(c2c(cc(cc2)Cl)Cl)cc(c2c1c(Cl)ccc2)C(=O)Cl
• Canonical SMILES: Clc1ccc(c(c1)Cl)c1cc(C(=O)Cl)c2c(n1)c(Cl)ccc2
• InChI: InChI=1S/C16H7Cl4NO/c17-8-4-5-10(13(19)6-8)14-7-11(16(20)22)9-2-1-3-12(18)15(9)21-14/h1-7H
• InChIKey: KLVZZSPAFBMLQR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-chloro-2-(2,4-dichlorophenyl)quinoline-4-carbonyl chloride
• IUPAC Traditional name: 8-chloro-2-(2,4-dichlorophenyl)quinoline-4-carbonyl chloride
• Synonyms: 8-Chloro-2-(2,4-dichlorophenyl)quinoline-4-carbonyl chloride

Database IDs

• MDL Number: MFCD03422885
• PubChem SID: 162061370
• PubChem CID: 46779505

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 6.1670227
• LogD (pH = 7.4): 6.1670227
• Log P: 6.1670227
• Molar Refractivity: 90.2726 cm^3
• Polarizability: 37.278046 Å^3
• Polar Surface Area: 29.96 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false