6-bromo-2,8-dichloroquinoline

• ChemBase ID: 247301
• Molecular Formular: C9H4BrCl2N
• Molecular Mass: 276.94476
• Monoisotopic Mass: 274.89041649
• SMILES: c12nc(ccc2cc(cc1Cl)Br)Cl
• Canonical SMILES: Brc1cc(Cl)c2c(c1)ccc(n2)Cl
• InChI: InChI=1S/C9H4BrCl2N/c10-6-3-5-1-2-8(12)13-9(5)7(11)4-6/h1-4H
• InChIKey: GZCGEVDIEHZSDF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-bromo-2,8-dichloroquinoline
• IUPAC Traditional name: 6-bromo-2,8-dichloroquinoline
• Synonyms: 6-bromo-2,8-dichloroquinoline

Database IDs

• MDL Number: MFCD19678395
• PubChem SID: 164303211
• PubChem CID: 64208257

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: 23.566254 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%