6-chloro-2-phenylimidazo[1,2-b]pyridazine

• ChemBase ID: 73665
• Molecular Formular: C12H8ClN3
• Molecular Mass: 229.66502
• Monoisotopic Mass: 229.04067495
• SMILES: n1c(ccc2nc(cn12)c1ccccc1)Cl
• Canonical SMILES: Clc1ccc2n(n1)cc(n2)c1ccccc1
• InChI: InChI=1S/C12H8ClN3/c13-11-6-7-12-14-10(8-16(12)15-11)9-4-2-1-3-5-9/h1-8H
• InChIKey: FPWMERDSYDEJOP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-chloro-2-phenylimidazo[1,2-b]pyridazine
• IUPAC Traditional name: 6-chloro-2-phenylimidazo[1,2-b]pyridazine
• Synonyms: 6-Chloro-2-phenylimidazo[1,2-b]pyridazine

Database IDs

• CAS Number: 1844-53-7
• MDL Number: MFCD03407868
• PubChem SID: 162038584
• PubChem CID: 137233

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.459589
• LogD (pH = 7.4): 3.5095916
• Log P: 3.51027
• Molar Refractivity: 74.4039 cm^3
• Polarizability: 25.284256 Å^3
• Polar Surface Area: 30.19 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant