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

• ChemBase ID: 294225
• Molecular Formular: C6H3BrClN3
• Molecular Mass: 232.46512
• Monoisotopic Mass: 230.91988679
• SMILES: Clc1nn2c(cc1)nc(Br)c2
• Canonical SMILES: Clc1ccc2n(n1)cc(n2)Br
• InChI: InChI=1S/C6H3BrClN3/c7-4-3-11-6(9-4)2-1-5(8)10-11/h1-3H
• InChIKey: IEFGTBVANORJCW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 944902-75-4
• PubChem SID: 180679756
• PubChem CID: 57345831

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.4514158
• LogD (pH = 7.4): 2.4514685
• Log P: 2.4514692
• Molar Refractivity: 58.1047 cm^3
• Polarizability: 17.439962 Å^3
• Polar Surface Area: 30.19 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%