8-chloro-2-(5-chlorothiophen-2-yl)quinoline-4-carbonyl chloride

• ChemBase ID: 56619
• Molecular Formular: C14H6Cl3NOS
• Molecular Mass: 342.62754
• Monoisotopic Mass: 340.92356786
• SMILES: n1c2c(c(cc1c1sc(cc1)Cl)C(=O)Cl)cccc2Cl
• Canonical SMILES: Clc1ccc(s1)c1cc(C(=O)Cl)c2c(n1)c(Cl)ccc2
• InChI: InChI=1S/C14H6Cl3NOS/c15-9-3-1-2-7-8(14(17)19)6-10(18-13(7)9)11-4-5-12(16)20-11/h1-6H
• InChIKey: JRHWGQHQUOGFSM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-chloro-2-(5-chlorothiophen-2-yl)quinoline-4-carbonyl chloride
• IUPAC Traditional name: 8-chloro-2-(5-chlorothiophen-2-yl)quinoline-4-carbonyl chloride
• Synonyms: 8-Chloro-2-(5-chloro-2-thienyl)quinoline-4-carbonyl chloride

Database IDs

• MDL Number: MFCD03422897
• PubChem SID: 162061382
• PubChem CID: 46779517

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 5.506122
• LogD (pH = 7.4): 5.506122
• Log P: 5.506122
• Molar Refractivity: 81.5176 cm^3
• Polarizability: 34.12704 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