Base information
| Cat. No. | |
| CAS No. | 654-49-9 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C8H5F3N2O |
| Molecular Weight | 202.133 |
| Exact Mass | 202.035 |
| XLogP3 | 1.57378 |
| Mr | 41.7457 |
| PSA | 56.65 |
| Sequence | - |
| Atom number | 19 |
| Bond number | 19 |
| Ring number | 1 |
| Rotor number | 1 |
| Residues number | 0 |
| Canonical smiles | N#Cc1c(cc([nH]c1=O)C)C(F)(F)F |
