6-bromo-4-chloro-2-methylquinazoline

• ChemBase ID: 66924
• Molecular Formular: C9H6BrClN2
• Molecular Mass: 257.51434
• Monoisotopic Mass: 255.94028788
• SMILES: n1c(nc(c2cc(ccc12)Br)Cl)C
• Canonical SMILES: Brc1ccc2c(c1)c(Cl)nc(n2)C
• InChI: InChI=1S/C9H6BrClN2/c1-5-12-8-3-2-6(10)4-7(8)9(11)13-5/h2-4H,1H3
• InChIKey: RKYJNZAWEQIQOF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-bromo-4-chloro-2-methylquinazoline
• IUPAC Traditional name: 6-bromo-4-chloro-2-methylquinazoline
• Synonyms: 6-Bromo-4-chloro-2-methylquinazoline

Database IDs

• CAS Number: 351426-04-5
• MDL Number: MFCD06657210
• PubChem SID: 162032660
• PubChem CID: 10753649

CALCULATED PROPERTIES

• Molar Refractivity: 56.9138 cm^3
• Polarizability: 22.523512 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.5720246
• LogD (pH = 7.4): 3.5720391
• Log P: 3.5720394

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95+%