Base information
| Cat. No. | |
| CAS No. | 1146951-57-6 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C4H4BrN3O |
| Molecular Weight | 189.998 |
| Exact Mass | 188.954 |
| XLogP3 | 0.9714 |
| Mr | 34.3826 |
| PSA | 71.77 |
| Sequence | - |
| Atom number | 13 |
| Bond number | 13 |
| Ring number | 1 |
| Rotor number | 1 |
| Residues number | 0 |
| Canonical smiles | NC(=O)c1n[nH]cc1Br |
