8-chloro-2-(3-chlorophenyl)-3-methylquinoline-4-carbonyl chloride

• ChemBase ID: 56627
• Molecular Formular: C17H10Cl3NO
• Molecular Mass: 350.6264
• Monoisotopic Mass: 348.98279699
• SMILES: n1c(c(c(c2c1c(Cl)ccc2)C(=O)Cl)C)c1cc(Cl)ccc1
• Canonical SMILES: Clc1cccc(c1)c1nc2c(Cl)cccc2c(c1C)C(=O)Cl
• InChI: InChI=1S/C17H10Cl3NO/c1-9-14(17(20)22)12-6-3-7-13(19)16(12)21-15(9)10-4-2-5-11(18)8-10/h2-8H,1H3
• InChIKey: HFAFKCPHTRKQMH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-chloro-2-(3-chlorophenyl)-3-methylquinoline-4-carbonyl chloride
• IUPAC Traditional name: 8-chloro-2-(3-chlorophenyl)-3-methylquinoline-4-carbonyl chloride
• Synonyms: 8-Chloro-2-(3-chlorophenyl)-3-methylquinoline-4-carbonyl chloride

Database IDs

• MDL Number: MFCD03422905
• PubChem SID: 162061390
• PubChem CID: 46779525

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 6.0763993
• LogD (pH = 7.4): 6.0763993
• Log P: 6.0763993
• Molar Refractivity: 90.509 cm^3
• Polarizability: 37.150936 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