4,7-dichloro-2-(2-fluorophenyl)quinazoline

• ChemBase ID: 812093
• Molecular Formular: C14H7Cl2FN2
• Molecular Mass: 293.1231832
• Monoisotopic Mass: 291.99703181
• SMILES: c1c(cc2nc(nc(c2c1)Cl)c1c(cccc1)F)Cl
• Canonical SMILES: Clc1ccc2c(c1)nc(nc2Cl)c1ccccc1F
• InChI: InChI=1S/C14H7Cl2FN2/c15-8-5-6-10-12(7-8)18-14(19-13(10)16)9-3-1-2-4-11(9)17/h1-7H
• InChIKey: RKSKGXIPWCKCPJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4,7-dichloro-2-(2-fluorophenyl)quinazoline
• IUPAC Traditional name: 4,7-dichloro-2-(2-fluorophenyl)quinazoline
• Synonyms: 4,7-DICHLORO-2-(2-FLUORO-PHENYL)-QUINAZOLINE

Database IDs

• CAS Number: 885277-55-4

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 5.3547916
• LogD (pH = 7.4): 5.354792
• Log P: 5.354792
• Molar Refractivity: 85.0989 cm^3
• Polarizability: 29.793402 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Purity: 98%