Base information
| Cat. No. | |
| CAS No. | 1227586-78-8 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C6H5F3N2O |
| Molecular Weight | 178.112 |
| Exact Mass | 178.035 |
| XLogP3 | 1.9694 |
| Mr | 35.6664 |
| PSA | 59.14 |
| Sequence | - |
| Atom number | 17 |
| Bond number | 17 |
| Ring number | 1 |
| Rotor number | 1 |
| Residues number | 0 |
| Canonical smiles | Nc1ncc(cc1O)C(F)(F)F |
