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

• ChemBase ID: 812109
• Molecular Formular: C15H10BrClN2
• Molecular Mass: 333.6103
• Monoisotopic Mass: 331.97158801
• SMILES: c1ccc2nc(nc(c2c1C)Cl)c1ccc(cc1)Br
• Canonical SMILES: Brc1ccc(cc1)c1nc(Cl)c2c(n1)cccc2C
• InChI: InChI=1S/C15H10BrClN2/c1-9-3-2-4-12-13(9)14(17)19-15(18-12)10-5-7-11(16)8-6-10/h2-8H,1H3
• InChIKey: CWIAZOVNENXTCE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 885277-89-4

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 5.915123
• LogD (pH = 7.4): 5.915185
• Log P: 5.915186
• Molar Refractivity: 92.7417 cm^3
• Polarizability: 32.6886 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Purity: 98%