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

• ChemBase ID: 67627
• Molecular Formular: C6H3BrClN3
• Molecular Mass: 232.46512
• Monoisotopic Mass: 230.91988679
• SMILES: c12c(nc(cn1ccn2)Br)Cl
• Canonical SMILES: Brc1cn2ccnc2c(n1)Cl
• InChI: InChI=1S/C6H3BrClN3/c7-4-3-11-2-1-9-6(11)5(8)10-4/h1-3H
• InChIKey: QIRIACFCTBDGFD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-bromo-8-chloroimidazo[1,2-a]pyrazine
• IUPAC Traditional name: 6-bromo-8-chloroimidazo[1,2-a]pyrazine
• Synonyms: 6-Bromo-8-chloroimidazo[1,2-a]pyrazine

Database IDs

• CAS Number: 1208083-37-7
• MDL Number: MFCD11846485
• PubChem SID: 162033362
• PubChem CID: 45789829

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.3396623
• LogD (pH = 7.4): 1.3403646
• Log P: 1.3403735
• Molar Refractivity: 48.1106 cm^3
• Polarizability: 17.46784 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+%