6-bromo-4-chloro-2-phenylquinoline

• ChemBase ID: 281674
• Molecular Formular: C15H9BrClN
• Molecular Mass: 318.59566
• Monoisotopic Mass: 316.96068897
• SMILES: n1c(cc(c2c1ccc(c2)Br)Cl)c1ccccc1
• Canonical SMILES: Brc1ccc2c(c1)c(Cl)cc(n2)c1ccccc1
• InChI: InChI=1S/C15H9BrClN/c16-11-6-7-14-12(8-11)13(17)9-15(18-14)10-4-2-1-3-5-10/h1-9H
• InChIKey: AYYIUMWXDCOPHR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-bromo-4-chloro-2-phenylquinoline
• IUPAC Traditional name: 6-bromo-4-chloro-2-phenylquinoline
• Synonyms: 6-bromo-4-chloro-2-phenylquinoline

Database IDs

• CAS Number: 860195-69-3
• MDL Number: MFCD02684146
• PubChem SID: 180667205
• PubChem CID: 17039659

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 5.536669
• LogD (pH = 7.4): 5.5367723
• Log P: 5.5367737
• Molar Refractivity: 77.1711 cm^3
• Polarizability: 32.406555 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Hydrophobicity(logP): 5.809

Product Information

• Purity: 95%; 98%