Base information
| Cat. No. | |
| CAS No. | 4588-51-6 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C6H6F3NO2 |
| Molecular Weight | 181.113 |
| Exact Mass | 181.035 |
| XLogP3 | 1.39408 |
| Mr | 32.219 |
| PSA | 50.09 |
| Sequence | - |
| Atom number | 18 |
| Bond number | 17 |
| Ring number | 0 |
| Rotor number | 3 |
| Residues number | 0 |
| Canonical smiles | N#CC(C(F)(F)F)(OC(=O)C)C |
