2,4-dichloro-3-phenylquinoline

• ChemBase ID: 79691
• Molecular Formular: C15H9Cl2N
• Molecular Mass: 274.14466
• Monoisotopic Mass: 273.01120465
• SMILES: n1c(c(c(c2ccccc12)Cl)c1ccccc1)Cl
• Canonical SMILES: Clc1nc2ccccc2c(c1c1ccccc1)Cl
• InChI: InChI=1S/C15H9Cl2N/c16-14-11-8-4-5-9-12(11)18-15(17)13(14)10-6-2-1-3-7-10/h1-9H
• InChIKey: AJFBGQFLYLZASL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,4-dichloro-3-phenylquinoline
• IUPAC Traditional name: 2,4-dichloro-3-phenylquinoline
• Synonyms: 2,4-dichloro-3-phenylquinoline

Database IDs

• CAS Number: 108832-15-1
• MDL Number: MFCD00179933
• PubChem SID: 162044454
• PubChem CID: 736399

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 5.206392
• LogD (pH = 7.4): 5.2063923
• Log P: 5.2063923
• Molar Refractivity: 75.7864 cm^3
• Polarizability: 31.77046 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Purity: 97%