2-chloro-3-phenylquinoline

• ChemBase ID: 813068
• Molecular Formular: C15H10ClN
• Molecular Mass: 239.6996
• Monoisotopic Mass: 239.05017701
• SMILES: c1cc2c(cc1)cc(c(n2)Cl)c1ccccc1
• Canonical SMILES: Clc1nc2ccccc2cc1c1ccccc1
• InChI: InChI=1S/C15H10ClN/c16-15-13(11-6-2-1-3-7-11)10-12-8-4-5-9-14(12)17-15/h1-10H
• InChIKey: LFARBJHRSSLIGX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-3-phenylquinoline
• IUPAC Traditional name: 2-chloro-3-phenylquinoline
• Synonyms: 2-CHLORO-3-PHENYLQUINOLINE

Database IDs

• CAS Number: 2859-30-5

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 4.602345
• LogD (pH = 7.4): 4.602348
• Log P: 4.602348
• Molar Refractivity: 70.9816 cm^3
• Polarizability: 29.987616 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%