8-bromo-6-chloroimidazo[1,2-b]pyridazine

• ChemBase ID: 65018
• Molecular Formular: C6H3BrClN3
• Molecular Mass: 232.46512
• Monoisotopic Mass: 230.91988679
• SMILES: n1c(cc(c2n1ccn2)Br)Cl
• Canonical SMILES: Clc1cc(Br)c2n(n1)ccn2
• InChI: InChI=1S/C6H3BrClN3/c7-4-3-5(8)10-11-2-1-9-6(4)11/h1-3H
• InChIKey: LZEJQXOCRMRVNP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 933190-51-3
• MDL Number: MFCD11520890
• PubChem SID: 162030757
• PubChem CID: 46835269

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.2452204
• LogD (pH = 7.4): 2.2459378
• Log P: 2.2459471
• Molar Refractivity: 57.2625 cm^3
• Polarizability: 17.39756 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%; 95+%