3-chloro-6-ethoxypyridazine

• ChemBase ID: 37143
• Molecular Formular: C6H7ClN2O
• Molecular Mass: 158.58558
• Monoisotopic Mass: 158.02469053
• SMILES: n1nc(ccc1Cl)OCC
• Canonical SMILES: CCOc1ccc(nn1)Cl
• InChI: InChI=1S/C6H7ClN2O/c1-2-10-6-4-3-5(7)8-9-6/h3-4H,2H2,1H3
• InChIKey: FFEBQGWXQGASGB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-chloro-6-ethoxypyridazine
• IUPAC Traditional name: 3-chloro-6-ethoxypyridazine
• Synonyms: 3-Chloro-6-ethoxypyridazine

Database IDs

• CAS Number: 17321-20-9
• MDL Number: MFCD00270290
• PubChem SID: 161000450
• PubChem CID: 261579

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.3936194
• LogD (pH = 7.4): 1.3936195
• Log P: 1.3936195
• Molar Refractivity: 41.1558 cm^3
• Polarizability: 14.91147 Å^3
• Polar Surface Area: 35.01 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 60 - 62°C
• Hydrophobicity(logP): 1.327

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%