3,4-dichloro-5-(cyclohexylmethoxy)pyridazine

• ChemBase ID: 796706
• Molecular Formular: C11H14Cl2N2O
• Molecular Mass: 261.14766
• Monoisotopic Mass: 260.04831844
• SMILES: n1nc(c(c(c1)OCC1CCCCC1)Cl)Cl
• Canonical SMILES: Clc1c(OCC2CCCCC2)cnnc1Cl
• InChI: InChI=1S/C11H14Cl2N2O/c12-10-9(6-14-15-11(10)13)16-7-8-4-2-1-3-5-8/h6,8H,1-5,7H2
• InChIKey: VMDSPSCQVFYVFL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,4-dichloro-5-(cyclohexylmethoxy)pyridazine
• IUPAC Traditional name: 3,4-dichloro-5-(cyclohexylmethoxy)pyridazine
• Synonyms: 3,4-Dichloro-5-(cyclohexylMethoxy)pyridazine

Database IDs

• CAS Number: 1346698-18-7

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.1606665
• LogD (pH = 7.4): 3.1606817
• Log P: 3.160682
• Molar Refractivity: 66.6435 cm^3
• Polarizability: 25.337156 Å^3
• Polar Surface Area: 35.01 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%