4-bromo-6-chloropyrimidine

• ChemBase ID: 806232
• Molecular Formular: C4H2BrClN2
• Molecular Mass: 193.42908
• Monoisotopic Mass: 191.90898775
• SMILES: c1c(ncnc1Cl)Br
• Canonical SMILES: Clc1ncnc(c1)Br
• InChI: InChI=1S/C4H2BrClN2/c5-3-1-4(6)8-2-7-3/h1-2H
• InChIKey: AFMQGCFSFMXMLO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-bromo-6-chloropyrimidine
• IUPAC Traditional name: 4-bromo-6-chloropyrimidine
• Synonyms: 4-BROMO-6-CHLOROPYRIMIDINE

Database IDs

• CAS Number: 126401-90-9

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.8482319
• LogD (pH = 7.4): 1.8482319
• Log P: 1.8482319
• Molar Refractivity: 37.0534 cm^3
• Polarizability: 13.623219 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%