3-chloro-5-(oxan-3-yloxy)pyridazine

• ChemBase ID: 797389
• Molecular Formular: C9H11ClN2O2
• Molecular Mass: 214.64884
• Monoisotopic Mass: 214.05090528
• SMILES: n1nc(cc(c1)OC1COCCC1)Cl
• Canonical SMILES: Clc1nncc(c1)OC1CCCOC1
• InChI: InChI=1S/C9H11ClN2O2/c10-9-4-8(5-11-12-9)14-7-2-1-3-13-6-7/h4-5,7H,1-3,6H2
• InChIKey: HVSWQGFKSVNHOV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-chloro-5-(oxan-3-yloxy)pyridazine
• IUPAC Traditional name: 3-chloro-5-(oxan-3-yloxy)pyridazine
• Synonyms: 3-Chloro-5-((tetrahydro-2H-pyran-3-yl)oxy)pyridazine

Database IDs

• CAS Number: 1346691-42-6

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.86093354
• LogD (pH = 7.4): 0.86094296
• Log P: 0.8609431
• Molar Refractivity: 54.3484 cm^3
• Polarizability: 20.423626 Å^3
• Polar Surface Area: 44.24 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%