5-bromo-4-chloroquinazoline

• ChemBase ID: 64825
• Molecular Formular: C8H4BrClN2
• Molecular Mass: 243.48776
• Monoisotopic Mass: 241.92463782
• SMILES: c1cc(c2c(c1)ncnc2Cl)Br
• Canonical SMILES: Brc1cccc2c1c(Cl)ncn2
• InChI: InChI=1S/C8H4BrClN2/c9-5-2-1-3-6-7(5)8(10)12-4-11-6/h1-4H
• InChIKey: XCVRQUJTALTMRU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-bromo-4-chloroquinazoline
• IUPAC Traditional name: 5-bromo-4-chloroquinazoline
• Synonyms: 5-Bromo-4-chloroquinazoline

Database IDs

• CAS Number: 2148-38-1
• MDL Number: MFCD09739114
• PubChem SID: 162030564
• PubChem CID: 16792315

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.0180345
• LogD (pH = 7.4): 3.018037
• Log P: 3.018037
• Molar Refractivity: 52.2894 cm^3
• Polarizability: 20.784637 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: 97%