Base information
| Cat. No. | |
| CAS No. | 1082041-95-9 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C8H5BrN2O2 |
| Molecular Weight | 241.041 |
| Exact Mass | 239.953 |
| XLogP3 | 3.06058 |
| Mr | 52.645 |
| PSA | 69.61 |
| Sequence | - |
| Atom number | 18 |
| Bond number | 18 |
| Ring number | 1 |
| Rotor number | 1 |
| Residues number | 0 |
| Canonical smiles | N#Cc1cc(Br)c(c(c1)[N+](=O)[O-])C |
