3-chloro-6-hydrazinylpyridazine hydrate

• ChemBase ID: 293330
• Molecular Formular: C4H7ClN4O
• Molecular Mass: 162.57758
• Monoisotopic Mass: 162.03083854
• SMILES: NNc1nnc(Cl)cc1.O
• Canonical SMILES: NNc1ccc(nn1)Cl.O
• InChI: InChI=1S/C4H5ClN4.H2O/c5-3-1-2-4(7-6)9-8-3;/h1-2H,6H2,(H,7,9);1H2
• InChIKey: WQGOWXUYMUQNFH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-chloro-6-hydrazinylpyridazine hydrate
• IUPAC Traditional name: 3-chloro-6-hydrazinylpyridazine hydrate
• Synonyms: 3-Chloro-6-hydrazinylpyridazine hydrate

Database IDs

• PubChem SID: 180678861
• PubChem CID: 71710957

CALCULATED PROPERTIES

• Acid pKa: 18.056147
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 0.568404
• LogD (pH = 7.4): 0.585898
• Log P: 0.58612543
• Molar Refractivity: 39.6507 cm^3
• Polarizability: 13.123515 Å^3
• Polar Surface Area: 63.83 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%