Multicomponent syntheses of pyrazoles via (3 + 2)-cyclocondensation and (3 + 2)-cycloaddition key steps
Ignaz Betcke, Alissa C. Götzinger, Maryna M. Kornet and Thomas J. J. Müller
Beilstein J. Org. Chem. 2024, 20, 2024–2077.
https://doi.org/10.3762/bjoc.20.178
Chemical Information
Calculated using the Chemistry Development Kit 2.12
| Molecular Formula | C9H5IO2 |
| Molecular Weight | 272.04 g/mol |
| Exact Mass | 271.9334 Da |
| InChI |
InChI=1S/C9H5IO2/c10-7-5-12-8-4-2-1-3-6(8)9(7)11/h1-5H
|
| InChIKey |
SZDBDDKQJHHRGH-UHFFFAOYSA-N
|
| SMILES |
C1=CC2=C(C=C1)OC=C(C2=O)I
|
| Number of Atoms | 17 |
| Number of H-Bond Acceptors | 2 |
| Number of H-Bond Donors | 0 |
| Atoms in the Largest π-System | 11 |
| XLogP | 2.0 |