6-bromo-4-chloro-2-phenylquinazoline

• ChemBase ID: 812073
• Molecular Formular: C14H8BrClN2
• Molecular Mass: 319.58372
• Monoisotopic Mass: 317.95593795
• SMILES: c1(ccc2nc(nc(c2c1)Cl)c1ccccc1)Br
• Canonical SMILES: Brc1ccc2c(c1)c(Cl)nc(n2)c1ccccc1
• InChI: InChI=1S/C14H8BrClN2/c15-10-6-7-12-11(8-10)13(16)18-14(17-12)9-4-2-1-3-5-9/h1-8H
• InChIKey: PAGYEVWBXVPXGS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-bromo-4-chloro-2-phenylquinazoline
• IUPAC Traditional name: 6-bromo-4-chloro-2-phenylquinazoline
• Synonyms: 6-BROMO-4-CHLORO-2-PHENYL-QUINAZOLINE

Database IDs

• CAS Number: 412923-42-3

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 5.4153767
• LogD (pH = 7.4): 5.415379
• Log P: 5.415379
• Molar Refractivity: 87.7005 cm^3
• Polarizability: 30.930977 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Purity: 98%