6-chloroimidazo[1,2-b]pyridazine

• ChemBase ID: 51708
• Molecular Formular: C6H4ClN3
• Molecular Mass: 153.56906
• Monoisotopic Mass: 153.00937482
• SMILES: c12ccc(nn1ccn2)Cl
• Canonical SMILES: Clc1ccc2n(n1)ccn2
• InChI: InChI=1S/C6H4ClN3/c7-5-1-2-6-8-3-4-10(6)9-5/h1-4H
• InChIKey: MPZDNIJHHXRTIQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-chloroimidazo[1,2-b]pyridazine
• IUPAC Traditional name: 6-chloroimidazo[1,2-b]pyridazine
• Synonyms: 6-Chloroimidazo[1,2-b]pyridazine 98%; 6-chloroimidazo[1,2-b]pyridazine; 6-Chloro-imidazo[1,2-b]pyridazine

Database IDs

• CAS Number: 6775-78-6
• MDL Number: MFCD07778345
• PubChem SID: 162056471
• PubChem CID: 138828

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.4727149
• LogD (pH = 7.4): 1.4771377
• Log P: 1.4771944
• Molar Refractivity: 49.6397 cm^3
• Polarizability: 14.376621 Å^3
• Polar Surface Area: 30.19 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 114 - 116°C
• Hydrophobicity(logP): 1.198

Safety Information

• Storage Warning: Harmful/Irritant/Keep Cold; IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%; 98%