Base information
| Cat. No. | |
| CAS No. | 1454848-83-9 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C6H6BrN3O |
| Molecular Weight | 216.035 |
| Exact Mass | 214.969 |
| XLogP3 | 0.54658 |
| Mr | 42.0318 |
| PSA | 61.84 |
| Sequence | - |
| Atom number | 17 |
| Bond number | 17 |
| Ring number | 1 |
| Rotor number | 1 |
| Residues number | 0 |
| Canonical smiles | OCc1nn(c(c1Br)C#N)C |
