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

• ChemBase ID: 812091
• Molecular Formular: C14H7BrClFN2
• Molecular Mass: 337.5741832
• Monoisotopic Mass: 335.94651613
• SMILES: c1(ccc2nc(nc(c2c1)Cl)c1c(cccc1)F)Br
• Canonical SMILES: Brc1ccc2c(c1)c(Cl)nc(n2)c1ccccc1F
• InChI: InChI=1S/C14H7BrClFN2/c15-8-5-6-12-10(7-8)13(16)19-14(18-12)9-3-1-2-4-11(9)17/h1-7H
• InChIKey: BAHQFLGDULAYEK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 760947-12-4

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 5.5623493
• LogD (pH = 7.4): 5.56235
• Log P: 5.56235
• Molar Refractivity: 87.9169 cm^3
• Polarizability: 30.667067 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Purity: 98%