6-bromo-4-chloro-2-(4-fluorophenyl)quinazoline

• ChemBase ID: 812085
• Molecular Formular: C14H7BrClFN2
• Molecular Mass: 337.5741832
• Monoisotopic Mass: 335.94651613
• SMILES: c1(ccc2nc(nc(c2c1)Cl)c1ccc(cc1)F)Br
• Canonical SMILES: Fc1ccc(cc1)c1nc(Cl)c2c(n1)ccc(c2)Br
• InChI: InChI=1S/C14H7BrClFN2/c15-9-3-6-12-11(7-9)13(16)19-14(18-12)8-1-4-10(17)5-2-8/h1-7H
• InChIKey: GIPACZKCRFSBRP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-bromo-4-chloro-2-(4-fluorophenyl)quinazoline
• IUPAC Traditional name: 6-bromo-4-chloro-2-(4-fluorophenyl)quinazoline
• Synonyms: 6-BROMO-4-CHLORO-2-(4-FLUORO-PHENYL)-QUINAZOLINE

Database IDs

• CAS Number: 885277-35-0

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 5.562347
• LogD (pH = 7.4): 5.56235
• Log P: 5.56235
• Molar Refractivity: 87.9169 cm^3
• Polarizability: 30.658484 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Purity: 98%