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

• ChemBase ID: 797199
• Molecular Formular: C8H8Cl2N2O
• Molecular Mass: 219.06792
• Monoisotopic Mass: 218.00136825
• SMILES: n1nc(c(c(c1)OCC1CC1)Cl)Cl
• Canonical SMILES: Clc1c(OCC2CC2)cnnc1Cl
• InChI: InChI=1S/C8H8Cl2N2O/c9-7-6(3-11-12-8(7)10)13-4-5-1-2-5/h3,5H,1-2,4H2
• InChIKey: PSYASQNZZIZRFG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 1346698-15-4

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.8269606
• LogD (pH = 7.4): 1.8269758
• Log P: 1.826976
• Molar Refractivity: 52.8405 cm^3
• Polarizability: 19.865637 Å^3
• Polar Surface Area: 35.01 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%