4-chloropyridazine

• ChemBase ID: 804787
• Molecular Formular: C4H3ClN2
• Molecular Mass: 114.53302
• Monoisotopic Mass: 113.99847579
• SMILES: n1ncc(cc1)Cl
• Canonical SMILES: Clc1ccnnc1
• InChI: InChI=1S/C4H3ClN2/c5-4-1-2-6-7-3-4/h1-3H
• InChIKey: VQRJGGJXFXWQRJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-chloropyridazine
• IUPAC Traditional name: 4-chloropyridazine
• Synonyms: 4-CHLOROPYRIDAZINE

Database IDs

• CAS Number: 17180-92-6

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.37971988
• LogD (pH = 7.4): 0.3798465
• Log P: 0.37984812
• Molar Refractivity: 28.5692 cm^3
• Polarizability: 10.476183 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%