3-chloropyridazin-4-amine

• ChemBase ID: 287572
• Molecular Formular: C4H4ClN3
• Molecular Mass: 129.54766
• Monoisotopic Mass: 129.00937482
• SMILES: Nc1ccnnc1Cl
• Canonical SMILES: Nc1ccnnc1Cl
• InChI: InChI=1S/C4H4ClN3/c5-4-3(6)1-2-7-8-4/h1-2H,(H2,6,7)
• InChIKey: MCWXCHZBZFOHFB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-chloropyridazin-4-amine
• IUPAC Traditional name: 3-chloropyridazin-4-amine
• Synonyms: 3-Chloropyridazin-4-amine

Database IDs

• CAS Number: 55928-83-1
• MDL Number: MFCD09834368
• PubChem SID: 180673103
• PubChem CID: 22987995

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.35786268
• LogD (pH = 7.4): -0.23078857
• Log P: -0.22890066
• Molar Refractivity: 34.3309 cm^3
• Polarizability: 11.70138 Å^3
• Polar Surface Area: 51.8 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%