Base information
| Cat. No. | |
| CAS No. | 1227594-82-2 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C8H5F4NO2 |
| Molecular Weight | 223.124 |
| Exact Mass | 223.026 |
| XLogP3 | 2.0261 |
| Mr | 40.4765 |
| PSA | 39.19 |
| Sequence | - |
| Atom number | 20 |
| Bond number | 20 |
| Ring number | 1 |
| Rotor number | 3 |
| Residues number | 0 |
| Canonical smiles | COC(=O)c1ccnc(c1F)C(F)(F)F |
