Base information
| Cat. No. | |
| CAS No. | 1000343-84-9 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C8H6BrN3O2 |
| Molecular Weight | 256.056 |
| Exact Mass | 254.964 |
| XLogP3 | 3.0652 |
| Mr | 57.5817 |
| PSA | 74.5 |
| Sequence | - |
| Atom number | 20 |
| Bond number | 21 |
| Ring number | 2 |
| Rotor number | 1 |
| Residues number | 0 |
| Canonical smiles | [O-][N+](=O)c1c[nH]c2c1cc(Br)c(n2)C |
