2,6-dichloroimidazo[1,2-b]pyridazine

• ChemBase ID: 67765
• Molecular Formular: C6H3Cl2N3
• Molecular Mass: 188.01412
• Monoisotopic Mass: 186.97040247
• SMILES: c12ccc(nn1cc(n2)Cl)Cl
• Canonical SMILES: Clc1nc2n(c1)nc(cc2)Cl
• InChI: InChI=1S/C6H3Cl2N3/c7-4-1-2-6-9-5(8)3-11(6)10-4/h1-3H
• InChIKey: MGNCSIAIZSTMHX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,6-dichloroimidazo[1,2-b]pyridazine
• IUPAC Traditional name: 2,6-dichloroimidazo[1,2-b]pyridazine
• Synonyms: 2,6-Dichloroimidazo[1,2-b]pyridazine

Database IDs

• CAS Number: 112581-77-8
• MDL Number: MFCD11044765
• PubChem SID: 162033500
• PubChem CID: 14422358

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.3013978
• LogD (pH = 7.4): 2.3014162
• Log P: 2.3014164
• Molar Refractivity: 55.5058 cm^3
• Polarizability: 16.399775 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+%