3-bromoimidazo[1,2-b]pyridazine

• ChemBase ID: 67690
• Molecular Formular: C6H4BrN3
• Molecular Mass: 198.02006
• Monoisotopic Mass: 196.95885914
• SMILES: c12cccnn1c(cn2)Br
• Canonical SMILES: Brc1cnc2n1nccc2
• InChI: InChI=1S/C6H4BrN3/c7-5-4-8-6-2-1-3-9-10(5)6/h1-4H
• InChIKey: KJQVHOFAWISYDO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-bromoimidazo[1,2-b]pyridazine
• IUPAC Traditional name: 3-bromoimidazo[1,2-b]pyridazine
• Synonyms: 3-Bromoimidazo[1,2-b]pyridazine

Database IDs

• CAS Number: 18087-73-5
• MDL Number: MFCD09757672
• PubChem SID: 162033425
• PubChem CID: 12872319

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.1218237
• LogD (pH = 7.4): 1.1220775
• Log P: 1.1220807
• Molar Refractivity: 51.1784 cm^3
• Polarizability: 15.375122 Å^3
• Polar Surface Area: 30.19 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT; Irritant
• TSCA Listed: false

Product Information

• Purity: 95%; 95+%