3-chloro-5-(cyclohexyloxy)pyridazine

• ChemBase ID: 795780
• Molecular Formular: C10H13ClN2O
• Molecular Mass: 212.67602
• Monoisotopic Mass: 212.07164073
• SMILES: n1nc(cc(c1)OC1CCCCC1)Cl
• Canonical SMILES: Clc1nncc(c1)OC1CCCCC1
• InChI: InChI=1S/C10H13ClN2O/c11-10-6-9(7-12-13-10)14-8-4-2-1-3-5-8/h6-8H,1-5H2
• InChIKey: XWNHWEHSIXMVJB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-chloro-5-(cyclohexyloxy)pyridazine
• IUPAC Traditional name: 3-chloro-5-(cyclohexyloxy)pyridazine
• Synonyms: 3-Chloro-5-(cyclohexyloxy)pyridazine

Database IDs

• CAS Number: 1346691-27-7

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.2416146
• LogD (pH = 7.4): 2.2416244
• Log P: 2.2416246
• Molar Refractivity: 57.1079 cm^3
• Polarizability: 21.517487 Å^3
• Polar Surface Area: 35.01 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%