6-chloro-2-(chloromethyl)imidazo[1,2-b]pyridazine

• ChemBase ID: 63909
• Molecular Formular: C7H5Cl2N3
• Molecular Mass: 202.0407
• Monoisotopic Mass: 200.98605254
• SMILES: n12c(nc(c2)CCl)ccc(n1)Cl
• Canonical SMILES: ClCc1cn2c(n1)ccc(n2)Cl
• InChI: InChI=1S/C7H5Cl2N3/c8-3-5-4-12-7(10-5)2-1-6(9)11-12/h1-2,4H,3H2
• InChIKey: YMOUUAKORLOHCD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-chloro-2-(chloromethyl)imidazo[1,2-b]pyridazine
• IUPAC Traditional name: 6-chloro-2-(chloromethyl)imidazo[1,2-b]pyridazine
• Synonyms: 6-chloro-2-(chloromethyl)imidazo[1,2-b]pyridazine; 6-Chloro-2-chloromethylimidazo[1,2-b]pyridazine

Database IDs

• CAS Number: 154578-23-1
• MDL Number: MFCD09839392
• PubChem SID: 162029648
• PubChem CID: 10965562

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.1448994
• LogD (pH = 7.4): 2.1458957
• Log P: 2.1459084
• Molar Refractivity: 58.9844 cm^3
• Polarizability: 18.096079 Å^3
• Polar Surface Area: 30.19 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 96%; 97%