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

• ChemBase ID: 813242
• Molecular Formular: C14H8ClFN2
• Molecular Mass: 258.6781232
• Monoisotopic Mass: 258.03600417
• SMILES: c1ccc2nc(nc(c2c1)Cl)c1c(cccc1)F
• Canonical SMILES: Fc1ccccc1c1nc(Cl)c2c(n1)cccc2
• InChI: InChI=1S/C14H8ClFN2/c15-13-10-6-2-4-8-12(10)17-14(18-13)9-5-1-3-7-11(9)16/h1-8H
• InChIKey: RHJMTCRHSSQQIU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 610276-37-4

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 4.7906027
• LogD (pH = 7.4): 4.790604
• Log P: 4.790604
• Molar Refractivity: 80.2941 cm^3
• Polarizability: 27.921892 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%