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

• ChemBase ID: 73663
• Molecular Formular: C12H6BrCl2N3
• Molecular Mass: 343.00614
• Monoisotopic Mass: 340.91221457
• SMILES: n1c(Cl)ccc2nc(c(n12)Br)c1ccc(cc1)Cl
• Canonical SMILES: Clc1ccc(cc1)c1nc2n(c1Br)nc(cc2)Cl
• InChI: InChI=1S/C12H6BrCl2N3/c13-12-11(7-1-3-8(14)4-2-7)16-10-6-5-9(15)17-18(10)12/h1-6H
• InChIKey: VOOBYVROFBSXFN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-bromo-6-chloro-2-(4-chlorophenyl)imidazo[1,2-b]pyridazine
• IUPAC Traditional name: 3-bromo-6-chloro-2-(4-chlorophenyl)imidazo[1,2-b]pyridazine
• Synonyms: 3-Bromo-6-chloro-2-(4-chlorophenyl)imidazo[1,2-b]pyridazine

Database IDs

• MDL Number: MFCD09832526
• PubChem SID: 162038582
• PubChem CID: 16740711

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 4.5791564
• LogD (pH = 7.4): 4.583369
• Log P: 4.583423
• Molar Refractivity: 86.6135 cm^3
• Polarizability: 30.020054 Å^3
• Polar Surface Area: 30.19 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant