5-bromo-2,8-dichloroquinoline

• ChemBase ID: 247302
• Molecular Formular: C9H4BrCl2N
• Molecular Mass: 276.94476
• Monoisotopic Mass: 274.89041649
• SMILES: c12c(ccc(n1)Cl)c(ccc2Cl)Br
• Canonical SMILES: Clc1ccc2c(n1)c(Cl)ccc2Br
• InChI: InChI=1S/C9H4BrCl2N/c10-6-2-3-7(11)9-5(6)1-4-8(12)13-9/h1-4H
• InChIKey: AIQTVPVFULTIPN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-bromo-2,8-dichloroquinoline
• IUPAC Traditional name: 5-bromo-2,8-dichloroquinoline
• Synonyms: 5-bromo-2,8-dichloroquinoline

Database IDs

• MDL Number: MFCD19678366
• PubChem SID: 164303212
• PubChem CID: 64210704

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 4.3279195
• LogD (pH = 7.4): 4.3279195
• Log P: 4.3279195
• Molar Refractivity: 58.273 cm^3
• Polarizability: 23.56948 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 4.432

Product Information

• Purity: 95%