7-chloro-2-(2,4-dichlorophenyl)-8-methylquinoline-4-carbonyl chloride

• ChemBase ID: 56608
• Molecular Formular: C17H9Cl4NO
• Molecular Mass: 385.07146
• Monoisotopic Mass: 382.94382463
• SMILES: c12nc(c3c(cc(cc3)Cl)Cl)cc(c1ccc(c2C)Cl)C(=O)Cl
• Canonical SMILES: Clc1ccc(c(c1)Cl)c1cc(C(=O)Cl)c2c(n1)c(C)c(cc2)Cl
• InChI: InChI=1S/C17H9Cl4NO/c1-8-13(19)5-4-10-12(17(21)23)7-15(22-16(8)10)11-3-2-9(18)6-14(11)20/h2-7H,1H3
• InChIKey: OYAKSESCPGINML-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-chloro-2-(2,4-dichlorophenyl)-8-methylquinoline-4-carbonyl chloride
• IUPAC Traditional name: 7-chloro-2-(2,4-dichlorophenyl)-8-methylquinoline-4-carbonyl chloride
• Synonyms: 7-Chloro-2-(2,4-dichlorophenyl)-8-methylquinoline-4-carbonyl chloride

Database IDs

• MDL Number: MFCD03422886
• PubChem SID: 162061371
• PubChem CID: 46779506

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 6.680444
• LogD (pH = 7.4): 6.6804442
• Log P: 6.6804442
• Molar Refractivity: 95.3138 cm^3
• Polarizability: 39.018646 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