3-(chloromethyl)-6-methoxypyridazine

• ChemBase ID: 815415
• Molecular Formular: C6H7ClN2O
• Molecular Mass: 158.58558
• Monoisotopic Mass: 158.02469053
• SMILES: n1nc(ccc1OC)CCl
• Canonical SMILES: ClCc1ccc(nn1)OC
• InChI: InChI=1S/C6H7ClN2O/c1-10-6-3-2-5(4-7)8-9-6/h2-3H,4H2,1H3
• InChIKey: JFXSVKPIIFBWPF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(chloromethyl)-6-methoxypyridazine
• IUPAC Traditional name: 3-(chloromethyl)-6-methoxypyridazine
• Synonyms: 3-(chloromethyl)-6-methoxypyridazine

Database IDs

• CAS Number: 41227-73-0

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.8813007
• LogD (pH = 7.4): 0.88130367
• Log P: 0.88130367
• Molar Refractivity: 39.8858 cm^3
• Polarizability: 14.792051 Å^3
• Polar Surface Area: 35.01 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%