Base information
| Cat. No. | |
| CAS No. | 1093407-58-9 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C6H5BF3NO2 |
| Molecular Weight | 190.916 |
| Exact Mass | 191.037 |
| XLogP3 | -0.2198 |
| Mr | 39.0646 |
| PSA | 53.35 |
| Sequence | - |
| Atom number | 18 |
| Bond number | 18 |
| Ring number | 1 |
| Rotor number | 2 |
| Residues number | 0 |
| Canonical smiles | OB(c1ccnc(c1)C(F)(F)F)O |
