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

• ChemBase ID: 797418
• Molecular Formular: C9H10Cl2N2O
• Molecular Mass: 233.0945
• Monoisotopic Mass: 232.01701831
• SMILES: n1nc(c(c(c1)OC1CCCC1)Cl)Cl
• Canonical SMILES: Clc1c(OC2CCCC2)cnnc1Cl
• InChI: InChI=1S/C9H10Cl2N2O/c10-8-7(5-12-13-9(8)11)14-6-3-1-2-4-6/h5-6H,1-4H2
• InChIKey: LDRHVDIIVANZER-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 1346698-12-1

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.4010856
• LogD (pH = 7.4): 2.4011004
• Log P: 2.4011006
• Molar Refractivity: 57.3117 cm^3
• Polarizability: 21.686363 Å^3
• Polar Surface Area: 35.01 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%