8-bromo-2,4-dichloroquinazoline

• ChemBase ID: 52666
• Molecular Formular: C8H3BrCl2N2
• Molecular Mass: 277.93282
• Monoisotopic Mass: 275.88566547
• SMILES: c1cc(c2c(c1)c(nc(n2)Cl)Cl)Br
• Canonical SMILES: Clc1nc(Cl)c2c(n1)c(Br)ccc2
• InChI: InChI=1S/C8H3BrCl2N2/c9-5-3-1-2-4-6(5)12-8(11)13-7(4)10/h1-3H
• InChIKey: BHXJPWCPEFXWMH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-bromo-2,4-dichloroquinazoline
• IUPAC Traditional name: 8-bromo-2,4-dichloroquinazoline
• Synonyms: 8-Bromo-2,4-dichloroquinazoline

Database IDs

• CAS Number: 331647-05-3
• MDL Number: MFCD09954891
• PubChem SID: 162057429
• PubChem CID: 13785874

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.9265873
• LogD (pH = 7.4): 3.9265873
• Log P: 3.9265873
• Molar Refractivity: 57.788 cm^3
• Polarizability: 22.870884 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%; 95+%