Base information
| Cat. No. | |
| CAS No. | 158062-67-0 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C9H6F3N3O |
| Molecular Weight | 229.159 |
| Exact Mass | 229.046 |
| XLogP3 | 1.74468 |
| Mr | 46.7912 |
| PSA | 65.78 |
| Sequence | - |
| Atom number | 22 |
| Bond number | 22 |
| Ring number | 1 |
| Rotor number | 4 |
| Residues number | 0 |
| Canonical smiles | N#CCNC(=O)c1cnccc1C(F)(F)F |
