3-chloro-5-(cyclopentyloxy)pyridazine

• ChemBase ID: 797159
• Molecular Formular: C9H11ClN2O
• Molecular Mass: 198.64944
• Monoisotopic Mass: 198.05599066
• SMILES: n1nc(cc(c1)OC1CCCC1)Cl
• Canonical SMILES: Clc1nncc(c1)OC1CCCC1
• InChI: InChI=1S/C9H11ClN2O/c10-9-5-8(6-11-12-9)13-7-3-1-2-4-7/h5-7H,1-4H2
• InChIKey: AVIQPKSZORJLKI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 1346691-26-6

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.797046
• LogD (pH = 7.4): 1.7970557
• Log P: 1.7970558
• Molar Refractivity: 52.5069 cm^3
• Polarizability: 19.685776 Å^3
• Polar Surface Area: 35.01 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%