Oxidative fluorination with Selectfluor: A convenient procedure for preparing hypervalent iodine(V) fluorides
Samuel M. G. Dearman, Xiang Li, Yang Li, Kuldip Singh and Alison M. Stuart
Beilstein J. Org. Chem. 2024, 20, 1785–1793.
https://doi.org/10.3762/bjoc.20.157
Chemical Information
Calculated using the Chemistry Development Kit 2.12
| Molecular Formula | C11H9NO2 |
| Molecular Weight | 187.20 g/mol |
| Exact Mass | 187.0633 Da |
| InChI |
InChI=1S/C11H9NO2/c1-9(2)3-4-10-5-7-11(8-6-10)12(13)14/h5-8H,1H2,2H3
|
| InChIKey |
HMSGIIDZGUBDAU-UHFFFAOYSA-N
|
| SMILES |
C=C(C)C#CC1=CC=C(C=C1)[N+](=O)[O-]
|
| Number of Atoms | 23 |
| Number of H-Bond Acceptors | 0 |
| Number of H-Bond Donors | 0 |
| Atoms in the Largest π-System | 13 |
| XLogP | 3.2 |