6-bromoimidazo[1,2-b]pyridazine

• ChemBase ID: 63475
• Molecular Formular: C6H4BrN3
• Molecular Mass: 198.02006
• Monoisotopic Mass: 196.95885914
• SMILES: c1(Br)nn2ccnc2cc1
• Canonical SMILES: Brc1ccc2n(n1)ccn2
• InChI: InChI=1S/C6H4BrN3/c7-5-1-2-6-8-3-4-10(6)9-5/h1-4H
• InChIKey: CFUOULAGZMUPNF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-bromoimidazo[1,2-b]pyridazine
• IUPAC Traditional name: 6-bromoimidazo[1,2-b]pyridazine
• Synonyms: 6-Bromoimidazo[1,2-b]pyridazine

Database IDs

• CAS Number: 1159977-65-7
• MDL Number: MFCD12198219
• PubChem SID: 162029214
• PubChem CID: 56698917

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.6242068
• LogD (pH = 7.4): 1.6272088
• Log P: 1.6272472
• Molar Refractivity: 52.2386 cm^3
• Polarizability: 15.3811455 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+%