7-chloroimidazo[1,2-b]pyridazine

• ChemBase ID: 294866
• Molecular Formular: C6H4ClN3
• Molecular Mass: 153.56906
• Monoisotopic Mass: 153.00937482
• SMILES: Clc1cc2nccn2nc1
• Canonical SMILES: Clc1cnn2c(c1)ncc2
• InChI: InChI=1S/C6H4ClN3/c7-5-3-6-8-1-2-10(6)9-4-5/h1-4H
• InChIKey: FLCAFSOTMLXPPX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-chloroimidazo[1,2-b]pyridazine
• IUPAC Traditional name: 7-chloroimidazo[1,2-b]pyridazine
• Synonyms: 7-Chloroimidazo[1,2-b]pyridazine

Database IDs

• CAS Number: 1383481-11-5
• MDL Number: MFCD24387377
• PubChem SID: 180680397
• PubChem CID: 67980259

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.2551326
• LogD (pH = 7.4): 1.2569935
• Log P: 1.2570173
• Molar Refractivity: 48.5784 cm^3
• Polarizability: 14.33599 Å^3
• Polar Surface Area: 30.19 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%