Base information
| Cat. No. | |
| CAS No. | 1216997-96-4 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C9H6F3N3O |
| Molecular Weight | 229.159 |
| Exact Mass | 229.046 |
| XLogP3 | 1.5379 |
| Mr | 53.7779 |
| PSA | 67.81 |
| Sequence | - |
| Atom number | 22 |
| Bond number | 23 |
| Ring number | 2 |
| Rotor number | 3 |
| Residues number | 0 |
| Canonical smiles | NC(=O)c1ccc(cc1)C1(N=N1)C(F)(F)F |
