3-bromo-8-chloroimidazo[1,2-a]pyrazine

• ChemBase ID: 66883
• Molecular Formular: C6H3BrClN3
• Molecular Mass: 232.46512
• Monoisotopic Mass: 230.91988679
• SMILES: c12c(nccn1c(cn2)Br)Cl
• Canonical SMILES: Clc1nccn2c1ncc2Br
• InChI: InChI=1S/C6H3BrClN3/c7-4-3-10-6-5(8)9-1-2-11(4)6/h1-3H
• InChIKey: MCEGPQSPRNOFMG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-bromo-8-chloroimidazo[1,2-a]pyrazine
• IUPAC Traditional name: 3-bromo-8-chloroimidazo[1,2-a]pyrazine
• Synonyms: 3-Bromo-8-chloroimidazo[1,2-a]pyrazine

Database IDs

• CAS Number: 143591-61-1
• MDL Number: MFCD09909653
• PubChem SID: 162032619
• PubChem CID: 10059849

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.83514637
• LogD (pH = 7.4): 0.8352062
• Log P: 0.835207
• Molar Refractivity: 47.0504 cm^3
• Polarizability: 17.456764 Å^3
• Polar Surface Area: 30.19 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95+%