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 | C12H7ClO2 |
| Molecular Weight | 218.64 g/mol |
| Exact Mass | 218.0135 Da |
| InChI |
InChI=1S/C12H7ClO2/c13-12(15)11(14)10-7-6-8-4-2-1-3-5-9(8)10/h1-7H
|
| InChIKey |
VSNMSBDRFSNUPY-UHFFFAOYSA-N
|
| SMILES |
C1=CC=C2C(=CC=C2C(=O)C(=O)Cl)C=C1
|
| Number of Atoms | 22 |
| Number of H-Bond Acceptors | 2 |
| Number of H-Bond Donors | 0 |
| Atoms in the Largest π-System | 14 |
| XLogP | 2.4 |