Base information
| Cat. No. | |
| CAS No. | 405224-22-8 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C6H3BrN2O |
| Molecular Weight | 199.005 |
| Exact Mass | 197.943 |
| XLogP3 | 1.00908 |
| Mr | 39.4777 |
| PSA | 56.65 |
| Sequence | - |
| Atom number | 13 |
| Bond number | 13 |
| Ring number | 1 |
| Rotor number | 0 |
| Residues number | 0 |
| Canonical smiles | Brc1cc(C#N)c(=O)[nH]c1 |
