Base information
| Cat. No. | |
| CAS No. | 1137869-92-1 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C8H5FN2O3 |
| Molecular Weight | 196.135 |
| Exact Mass | 196.028 |
| XLogP3 | 2.13738 |
| Mr | 46.429 |
| PSA | 78.84 |
| Sequence | - |
| Atom number | 19 |
| Bond number | 19 |
| Ring number | 1 |
| Rotor number | 2 |
| Residues number | 0 |
| Canonical smiles | COc1cc(C#N)cc(c1[N+](=O)[O-])F |
