4-bromo-6-chloro-2-(trifluoromethyl)quinoline

• ChemBase ID: 291307
• Molecular Formular: C10H4BrClF3N
• Molecular Mass: 310.4976696
• Monoisotopic Mass: 308.91677347
• SMILES: FC(c1nc2ccc(Cl)cc2c(Br)c1)(F)F
• Canonical SMILES: Clc1ccc2c(c1)c(Br)cc(n2)C(F)(F)F
• InChI: InChI=1S/C10H4BrClF3N/c11-7-4-9(10(13,14)15)16-8-2-1-5(12)3-6(7)8/h1-4H
• InChIKey: XBWOMWBSPFAUEL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-bromo-6-chloro-2-(trifluoromethyl)quinoline
• IUPAC Traditional name: 4-bromo-6-chloro-2-(trifluoromethyl)quinoline
• Synonyms: 4-Bromo-6-chloro-2-(trifluoromethyl)quinoline

Database IDs

• CAS Number: 18706-32-6
• MDL Number: MFCD11504906
• PubChem SID: 180676838
• PubChem CID: 21543557

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 4.7673965
• LogD (pH = 7.4): 4.7673965
• Log P: 4.7673965
• Molar Refractivity: 58.0086 cm^3
• Polarizability: 22.941683 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%