7-bromo-2-methylquinazoline

• ChemBase ID: 797938
• Molecular Formular: C9H7BrN2
• Molecular Mass: 223.06928
• Monoisotopic Mass: 221.97926023
• SMILES: c1c(cc2nc(ncc2c1)C)Br
• Canonical SMILES: Brc1ccc2c(c1)nc(nc2)C
• InChI: InChI=1S/C9H7BrN2/c1-6-11-5-7-2-3-8(10)4-9(7)12-6/h2-5H,1H3
• InChIKey: FUJPMAXZVVBVEY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-bromo-2-methylquinazoline
• IUPAC Traditional name: 7-bromo-2-methylquinazoline
• Synonyms: 7-bromo-2-methylquinazoline

Database IDs

• CAS Number: 552331-87-0

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.7134798
• LogD (pH = 7.4): 2.7144392
• Log P: 2.7144516
• Molar Refractivity: 51.0477 cm^3
• Polarizability: 20.514978 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%