6-chloro-2-(4-chlorophenyl)imidazo[1,2-b]pyridazine

• ChemBase ID: 73657
• Molecular Formular: C12H7Cl2N3
• Molecular Mass: 264.11008
• Monoisotopic Mass: 263.0017026
• SMILES: n1c(ccc2nc(cn12)c1ccc(cc1)Cl)Cl
• Canonical SMILES: Clc1ccc(cc1)c1nc2n(c1)nc(cc2)Cl
• InChI: InChI=1S/C12H7Cl2N3/c13-9-3-1-8(2-4-9)10-7-17-12(15-10)6-5-11(14)16-17/h1-7H
• InChIKey: HYSPSPQAXIZJPJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-chloro-2-(4-chlorophenyl)imidazo[1,2-b]pyridazine
• IUPAC Traditional name: 6-chloro-2-(4-chlorophenyl)imidazo[1,2-b]pyridazine
• Synonyms: 6-Chloro-2-(4-chlorophenyl)imidazo[1,2-b]pyridazine

Database IDs

• CAS Number: 1844-56-0
• MDL Number: MFCD03407870
• PubChem SID: 162038576
• PubChem CID: 15749998

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 4.0636287
• LogD (pH = 7.4): 4.113636
• Log P: 4.114315
• Molar Refractivity: 79.2087 cm^3
• Polarizability: 27.14299 Å^3
• Polar Surface Area: 30.19 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant