4-chloro-7-fluoro-2-(4-fluorophenyl)quinazoline

• ChemBase ID: 812088
• Molecular Formular: C14H7ClF2N2
• Molecular Mass: 276.6685864
• Monoisotopic Mass: 276.02658235
• SMILES: c1c(cc2nc(nc(c2c1)Cl)c1ccc(cc1)F)F
• Canonical SMILES: Fc1ccc(cc1)c1nc(Cl)c2c(n1)cc(cc2)F
• InChI: InChI=1S/C14H7ClF2N2/c15-13-11-6-5-10(17)7-12(11)18-14(19-13)8-1-3-9(16)4-2-8/h1-7H
• InChIKey: XQFOVHUNMTWLCW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-chloro-7-fluoro-2-(4-fluorophenyl)quinazoline
• IUPAC Traditional name: 4-chloro-7-fluoro-2-(4-fluorophenyl)quinazoline
• Synonyms: 4-CHLORO-7-FLUORO-2-(4-FLUORO-PHENYL)-QUINAZOLINE

Database IDs

• CAS Number: 885277-44-1

CALCULATED PROPERTIES

• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 4.9375677
• LogD (pH = 7.4): 4.9375744
• Log P: 4.9375744
• Molar Refractivity: 80.5105 cm^3
• Polarizability: 27.574862 Å^3

PROPERTIES

Product Information

• Purity: 98%