3-(benzyloxy)-6-chloropyridazine

• ChemBase ID: 294393
• Molecular Formular: C11H9ClN2O
• Molecular Mass: 220.65496
• Monoisotopic Mass: 220.0403406
• SMILES: Clc1nnc(OCc2ccccc2)cc1
• Canonical SMILES: Clc1ccc(nn1)OCc1ccccc1
• InChI: InChI=1S/C11H9ClN2O/c12-10-6-7-11(14-13-10)15-8-9-4-2-1-3-5-9/h1-7H,8H2
• InChIKey: YRAUAJNDSLLHKM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(benzyloxy)-6-chloropyridazine
• IUPAC Traditional name: 3-(benzyloxy)-6-chloropyridazine
• Synonyms: 3-(Benzyloxy)-6-chloropyridazine

Database IDs

• CAS Number: 91063-19-3
• MDL Number: MFCD00270292
• PubChem SID: 180679924
• PubChem CID: 22506957

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.7612846
• LogD (pH = 7.4): 2.7612846
• Log P: 2.7612846
• Molar Refractivity: 61.0198 cm^3
• Polarizability: 22.60528 Å^3
• Polar Surface Area: 35.01 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%