6-bromo-2-(4-bromophenyl)-4-chloroquinazoline

• ChemBase ID: 812105
• Molecular Formular: C14H7Br2ClN2
• Molecular Mass: 398.47978
• Monoisotopic Mass: 395.86644991
• SMILES: c1(ccc2nc(nc(c2c1)Cl)c1ccc(cc1)Br)Br
• Canonical SMILES: Brc1ccc(cc1)c1nc(Cl)c2c(n1)ccc(c2)Br
• InChI: InChI=1S/C14H7Br2ClN2/c15-9-3-1-8(2-4-9)14-18-12-6-5-10(16)7-11(12)13(17)19-14/h1-7H
• InChIKey: ZYAPNNFLPBCIBC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-bromo-2-(4-bromophenyl)-4-chloroquinazoline
• IUPAC Traditional name: 6-bromo-2-(4-bromophenyl)-4-chloroquinazoline
• Synonyms: 6-BROMO-2-(4-BROMO-PHENYL)-4-CHLORO-QUINAZOLINE

Database IDs

• CAS Number: 885277-83-8

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 6.1871223
• LogD (pH = 7.4): 6.1871247
• Log P: 6.1871247
• Molar Refractivity: 95.3233 cm^3
• Polarizability: 33.789604 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Purity: 98%