Base information
| Cat. No. | |
| CAS No. | 344-39-8 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C8H6F3NO3 |
| Molecular Weight | 221.133 |
| Exact Mass | 221.03 |
| XLogP3 | 3.1454 |
| Mr | 46.758 |
| PSA | 55.05 |
| Sequence | - |
| Atom number | 21 |
| Bond number | 21 |
| Ring number | 1 |
| Rotor number | 3 |
| Residues number | 0 |
| Canonical smiles | COc1ccc(c(c1)C(F)(F)F)[N+](=O)[O-] |
