Base information
| Cat. No. | |
| CAS No. | 1214330-74-1 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C8H6F3NO3 |
| Molecular Weight | 221.133 |
| Exact Mass | 221.03 |
| XLogP3 | 1.8072 |
| Mr | 42.6903 |
| PSA | 59.42 |
| Sequence | - |
| Atom number | 21 |
| Bond number | 21 |
| Ring number | 1 |
| Rotor number | 3 |
| Residues number | 0 |
| Canonical smiles | COc1ccc(nc1C(=O)O)C(F)(F)F |
