2-(2-bromoethyl)-5-chloropyrazine

• ChemBase ID: 814323
• Molecular Formular: C6H6BrClN2
• Molecular Mass: 221.48224
• Monoisotopic Mass: 219.94028788
• SMILES: c1c(ncc(n1)Cl)CCBr
• Canonical SMILES: Clc1cnc(cn1)CCBr
• InChI: InChI=1S/C6H6BrClN2/c7-2-1-5-3-10-6(8)4-9-5/h3-4H,1-2H2
• InChIKey: VJBJISCJTVJWAB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-bromoethyl)-5-chloropyrazine
• IUPAC Traditional name: 2-(2-bromoethyl)-5-chloropyrazine
• Synonyms: 2-(2-bromoethyl)-5-chloropyrazine

Database IDs

• CAS Number: 1196156-96-3

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.4533433
• LogD (pH = 7.4): 1.4533448
• Log P: 1.4533448
• Molar Refractivity: 44.6379 cm^3
• Polarizability: 16.98789 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%