2,6-dichloro-4-phenylquinoline

• ChemBase ID: 113100
• Molecular Formular: C15H9Cl2N
• Molecular Mass: 274.14466
• Monoisotopic Mass: 273.01120465
• SMILES: c12c(cc(nc1ccc(c2)Cl)Cl)c1ccccc1
• Canonical SMILES: Clc1ccc2c(c1)c(cc(n2)Cl)c1ccccc1
• InChI: InChI=1S/C15H9Cl2N/c16-11-6-7-14-13(8-11)12(9-15(17)18-14)10-4-2-1-3-5-10/h1-9H
• InChIKey: FSVNVFMEUXPATP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,6-dichloro-4-phenylquinoline
• IUPAC Traditional name: 2,6-dichloro-4-phenylquinoline
• Synonyms: 2,6-Dichloro-4-phenylquinoline

Database IDs

• CAS Number: 10352-30-4
• MDL Number: MFCD00436567
• PubChem SID: 162097625
• PubChem CID: 4324619

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 5.2063913
• LogD (pH = 7.4): 5.2063923
• Log P: 5.2063923
• Molar Refractivity: 75.7864 cm^3
• Polarizability: 31.737703 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Partition Coefficient: 5.729
• Hydrophobicity(logP): 5.449

Product Information

• Purity: 95%; 95+%