4-chloro-3,5-dimethoxypyridazine

• ChemBase ID: 796717
• Molecular Formular: C6H7ClN2O2
• Molecular Mass: 174.58498
• Monoisotopic Mass: 174.01960515
• SMILES: n1nc(c(c(c1)OC)Cl)OC
• Canonical SMILES: COc1cnnc(c1Cl)OC
• InChI: InChI=1S/C6H7ClN2O2/c1-10-4-3-8-9-6(11-2)5(4)7/h3H,1-2H3
• InChIKey: JENLSRFHOWBFHR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-chloro-3,5-dimethoxypyridazine
• IUPAC Traditional name: 4-chloro-3,5-dimethoxypyridazine
• Synonyms: 4-Chloro-3,5-diMethoxypyridazine

Database IDs

• CAS Number: 63910-48-5

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.65888923
• LogD (pH = 7.4): 0.6589622
• Log P: 0.6589631
• Molar Refractivity: 41.8091 cm^3
• Polarizability: 15.63627 Å^3
• Polar Surface Area: 44.24 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%