3-chloro-6-(2-methoxyethoxy)pyridazine

• ChemBase ID: 257720
• Molecular Formular: C7H9ClN2O2
• Molecular Mass: 188.61156
• Monoisotopic Mass: 188.03525522
• SMILES: n1nc(ccc1Cl)OCCOC
• Canonical SMILES: COCCOc1ccc(nn1)Cl
• InChI: InChI=1S/C7H9ClN2O2/c1-11-4-5-12-7-3-2-6(8)9-10-7/h2-3H,4-5H2,1H3
• InChIKey: HPKBMHSKWWFGJO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-chloro-6-(2-methoxyethoxy)pyridazine
• IUPAC Traditional name: 3-chloro-6-(2-methoxyethoxy)pyridazine
• Synonyms: 3-chloro-6-(2-methoxyethoxy)pyridazine

Database IDs

• CAS Number: 147362-91-2
• MDL Number: MFCD09805342
• PubChem SID: 164313630
• PubChem CID: 24689073

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.98983604
• LogD (pH = 7.4): 0.98983604
• Log P: 0.98983604
• Molar Refractivity: 47.4507 cm^3
• Polarizability: 17.482359 Å^3
• Polar Surface Area: 44.24 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.2

Product Information

• Purity: 95%