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

• ChemBase ID: 65199
• Molecular Formular: C6H3BrClN3
• Molecular Mass: 232.46512
• Monoisotopic Mass: 230.91988679
• SMILES: c1c(nn2c(c1)ncc2Br)Cl
• Canonical SMILES: Clc1ccc2n(n1)c(Br)cn2
• InChI: InChI=1S/C6H3BrClN3/c7-4-3-9-6-2-1-5(8)10-11(4)6/h1-3H
• InChIKey: PFHPKMPWBFJZEY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-bromo-6-chloroimidazo[1,2-b]pyridazine
• IUPAC Traditional name: 3-bromo-6-chloroimidazo[1,2-b]pyridazine
• Synonyms: 6-Chloro-3-bromoimidazo[1,2-a]pyridazine; 3-Bromo-6-chloroimidazo[1,2-b]pyridazine 98%; 3-Bromo-6-chloroimidazo[1,2-B]pyridazine

Database IDs

• CAS Number: 13526-66-4
• MDL Number: MFCD09027274
• PubChem SID: 162030938
• PubChem CID: 12872323

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.9459685
• LogD (pH = 7.4): 1.9462984
• Log P: 1.9463025
• Molar Refractivity: 57.0445 cm^3
• Polarizability: 17.434467 Å^3
• Polar Surface Area: 30.19 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 122-126°C

Safety Information

• Storage Warning: Harmful/Irritant/Light Sensitive/Keep Cold; IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95+%