Base information
| Cat. No. | |
| CAS No. | 545394-86-3 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C10H8F3NO2 |
| Molecular Weight | 231.171 |
| Exact Mass | 231.051 |
| XLogP3 | 2.5066 |
| Mr | 50.8748 |
| PSA | 50.19 |
| Sequence | - |
| Atom number | 24 |
| Bond number | 24 |
| Ring number | 1 |
| Rotor number | 3 |
| Residues number | 0 |
| Canonical smiles | OC(=O)/C=C/c1ccc(nc1C)C(F)(F)F |
