3,4-dichloro-5-(cyclobutylmethoxy)pyridazine

• ChemBase ID: 796820
• Molecular Formular: C9H10Cl2N2O
• Molecular Mass: 233.0945
• Monoisotopic Mass: 232.01701831
• SMILES: n1nc(c(c(c1)OCC1CCC1)Cl)Cl
• Canonical SMILES: Clc1c(OCC2CCC2)cnnc1Cl
• InChI: InChI=1S/C9H10Cl2N2O/c10-8-7(4-12-13-9(8)11)14-5-6-2-1-3-6/h4,6H,1-3,5H2
• InChIKey: QOVDTGOIHOOYOC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,4-dichloro-5-(cyclobutylmethoxy)pyridazine
• IUPAC Traditional name: 3,4-dichloro-5-(cyclobutylmethoxy)pyridazine
• Synonyms: 3,4-Dichloro-5-(cyclobutylMethoxy)pyridazine

Database IDs

• CAS Number: 1346698-16-5

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.2715292
• LogD (pH = 7.4): 2.2715445
• Log P: 2.2715447
• Molar Refractivity: 57.4415 cm^3
• Polarizability: 21.686382 Å^3
• Polar Surface Area: 35.01 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%