3-chloro-5-methoxypyridazine

• ChemBase ID: 294386
• Molecular Formular: C5H5ClN2O
• Molecular Mass: 144.559
• Monoisotopic Mass: 144.00904047
• SMILES: COc1cc(Cl)nnc1
• Canonical SMILES: COc1cc(Cl)nnc1
• InChI: InChI=1S/C5H5ClN2O/c1-9-4-2-5(6)8-7-3-4/h2-3H,1H3
• InChIKey: XLGRINRFBNCHQS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-chloro-5-methoxypyridazine
• IUPAC Traditional name: 3-chloro-5-methoxypyridazine
• Synonyms: 3-Chloro-5-methoxypyridazine

Database IDs

• CAS Number: 123696-02-6
• PubChem SID: 180679917
• PubChem CID: 10975612

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.44234303
• LogD (pH = 7.4): 0.44235387
• Log P: 0.44235402
• Molar Refractivity: 36.0937 cm^3
• Polarizability: 13.093598 Å^3
• Polar Surface Area: 35.01 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%; 98%