3-chloro-5-(pentan-3-yloxy)pyridazine

• ChemBase ID: 795747
• Molecular Formular: C9H13ClN2O
• Molecular Mass: 200.66532
• Monoisotopic Mass: 200.07164073
• SMILES: n1nc(cc(c1)OC(CC)CC)Cl
• Canonical SMILES: CCC(Oc1cnnc(c1)Cl)CC
• InChI: InChI=1S/C9H13ClN2O/c1-3-7(4-2)13-8-5-9(10)12-11-6-8/h5-7H,3-4H2,1-2H3
• InChIKey: DQZIFRHFDDTLBL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 1346691-23-3

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.260772
• LogD (pH = 7.4): 2.2607818
• Log P: 2.2607818
• Molar Refractivity: 54.3091 cm^3
• Polarizability: 20.401505 Å^3
• Polar Surface Area: 35.01 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%