8-chloro-2-(2-chlorophenyl)quinoline-4-carbonyl chloride

• ChemBase ID: 56545
• Molecular Formular: C16H8Cl3NO
• Molecular Mass: 336.59982
• Monoisotopic Mass: 334.96714692
• SMILES: n1c(cc(c2c1c(Cl)ccc2)C(=O)Cl)c1c(Cl)cccc1
• Canonical SMILES: Clc1ccccc1c1cc(C(=O)Cl)c2c(n1)c(Cl)ccc2
• InChI: InChI=1S/C16H8Cl3NO/c17-12-6-2-1-4-10(12)14-8-11(16(19)21)9-5-3-7-13(18)15(9)20-14/h1-8H
• InChIKey: PLPRQGVAXSEWLF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD03422823
• PubChem SID: 162061308
• PubChem CID: 46779443

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 5.562978
• LogD (pH = 7.4): 5.5629783
• Log P: 5.5629783
• Molar Refractivity: 85.4678 cm^3
• Polarizability: 35.401043 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