Base information
| Cat. No. | |
| CAS No. | 111495-86-4 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C12H13FN2O9 |
| Molecular Weight | 348.238 |
| Exact Mass | 348.061 |
| XLogP3 | 0.7053 |
| Mr | 77.1204 |
| PSA | 170.79 |
| Sequence | - |
| Atom number | 37 |
| Bond number | 38 |
| Ring number | 2 |
| Rotor number | 5 |
| Residues number | 0 |
| Canonical smiles | OC[C@H]1O[C@@H](Oc2ccc(cc2[N+](=O)[O-])[N+](=O)[O-])[C@@H]([C@H]([C@@H]1O)O)F |
