4-chloro-2-(2-fluorophenyl)-5-methylquinazoline

• ChemBase ID: 812095
• Molecular Formular: C15H10ClFN2
• Molecular Mass: 272.7047032
• Monoisotopic Mass: 272.05165423
• SMILES: c1ccc2nc(nc(c2c1C)Cl)c1c(cccc1)F
• Canonical SMILES: Fc1ccccc1c1nc(Cl)c2c(n1)cccc2C
• InChI: InChI=1S/C15H10ClFN2/c1-9-5-4-8-12-13(9)14(16)19-15(18-12)10-6-2-3-7-11(10)17/h2-8H,1H3
• InChIKey: HAMWLHRHIJQXCU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-chloro-2-(2-fluorophenyl)-5-methylquinazoline
• IUPAC Traditional name: 4-chloro-2-(2-fluorophenyl)-5-methylquinazoline
• Synonyms: 4-CHLORO-2-(2-FLUORO-PHENYL)-5-METHYL-QUINAZOLINE

Database IDs

• CAS Number: 885277-61-2

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 5.290406
• LogD (pH = 7.4): 5.290411
• Log P: 5.290411
• Molar Refractivity: 85.3353 cm^3
• Polarizability: 29.685848 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Purity: 98%