2-(4-bromophenyl)-4-chloro-6-methylquinazoline

• ChemBase ID: 812106
• Molecular Formular: C15H10BrClN2
• Molecular Mass: 333.6103
• Monoisotopic Mass: 331.97158801
• SMILES: c1(ccc2nc(nc(c2c1)Cl)c1ccc(cc1)Br)C
• Canonical SMILES: Brc1ccc(cc1)c1nc(Cl)c2c(n1)ccc(c2)C
• InChI: InChI=1S/C15H10BrClN2/c1-9-2-7-13-12(8-9)14(17)19-15(18-13)10-3-5-11(16)6-4-10/h2-8H,1H3
• InChIKey: NOBRZGSZPQCQEU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-bromophenyl)-4-chloro-6-methylquinazoline
• IUPAC Traditional name: 2-(4-bromophenyl)-4-chloro-6-methylquinazoline
• Synonyms: 2-(4-BROMO-PHENYL)-4-CHLORO-6-METHYL-QUINAZOLINE

Database IDs

• CAS Number: 405933-97-3

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 5.915163
• LogD (pH = 7.4): 5.9151855
• Log P: 5.915186
• Molar Refractivity: 92.7417 cm^3
• Polarizability: 32.686653 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Purity: 98%