3-chloro-6-(4-nitrophenoxy)pyridazine

• ChemBase ID: 290204
• Molecular Formular: C10H6ClN3O3
• Molecular Mass: 251.62594
• Monoisotopic Mass: 251.00976875
• SMILES: O=[N+](c1ccc(Oc2nnc(Cl)cc2)cc1)[O-]
• Canonical SMILES: Clc1ccc(nn1)Oc1ccc(cc1)[N+](=O)[O-]
• InChI: InChI=1S/C10H6ClN3O3/c11-9-5-6-10(13-12-9)17-8-3-1-7(2-4-8)14(15)16/h1-6H
• InChIKey: NXFJAGBVSNULLK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-chloro-6-(4-nitrophenoxy)pyridazine
• IUPAC Traditional name: 3-chloro-6-(4-nitrophenoxy)pyridazine
• Synonyms: 3-Chloro-6-(4-nitrophenoxy)pyridazine; 3-chloro-6-(4-nitrophenoxy)-pyridazine

Database IDs

• CAS Number: 1490-54-6
• PubChem SID: 180675735
• PubChem CID: 6413022

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.6347542
• LogD (pH = 7.4): 2.6347542
• Log P: 2.6347542
• Molar Refractivity: 62.5053 cm^3
• Polarizability: 22.805252 Å^3
• Polar Surface Area: 78.15 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%; 97%