Base information
| Cat. No. | |
| CAS No. | 1080497-29-5 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C7D4FN |
| Molecular Weight | 125.136 |
| Exact Mass | 125.058 |
| XLogP3 | 1.69738 |
| Mr | 31.115 |
| PSA | 23.79 |
| Sequence | - |
| Atom number | 13 |
| Bond number | 13 |
| Ring number | 1 |
| Rotor number | 0 |
| Residues number | 0 |
| Canonical smiles | [2H]c1c(C#N)c([2H])c(c(c1[2H])F)[2H] |
