2-bromo-5-chloropyrazine

• ChemBase ID: 64518
• Molecular Formular: C4H2BrClN2
• Molecular Mass: 193.42908
• Monoisotopic Mass: 191.90898775
• SMILES: c1c(ncc(n1)Cl)Br
• Canonical SMILES: Clc1ncc(nc1)Br
• InChI: InChI=1S/C4H2BrClN2/c5-3-1-8-4(6)2-7-3/h1-2H
• InChIKey: UXCPLGLOAZWCKO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-bromo-5-chloropyrazine
• IUPAC Traditional name: 2-bromo-5-chloropyrazine
• Synonyms: 2-Bromo-5-chloro-1,4-diazine; 2-Bromo-5-chloropyrazine

Database IDs

• CAS Number: 912773-21-8
• MDL Number: MFCD08460074
• PubChem SID: 162030257
• PubChem CID: 37818725

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.3363974
• LogD (pH = 7.4): 1.3363974
• Log P: 1.3363974
• Molar Refractivity: 36.0753 cm^3
• Polarizability: 13.6331835 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Harmful/Light Sensitive/Keep Cold; IRRITANT
• TSCA Listed: false

Product Information

• Purity: 98%