Base information
| Cat. No. | |
| CAS No. | 111193-38-5 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C6H6F3NO3 |
| Molecular Weight | 197.112 |
| Exact Mass | 197.03 |
| XLogP3 | -0.1296 |
| Mr | 37.329 |
| PSA | 46.38 |
| Sequence | - |
| Atom number | 19 |
| Bond number | 19 |
| Ring number | 1 |
| Rotor number | 4 |
| Residues number | 0 |
| Canonical smiles | COC(=O)[C@@H]1CN1C(=O)C(F)(F)F |
