Base information
| Cat. No. | |
| CAS No. | 1429309-37-4 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C8H6BrN3O |
| Molecular Weight | 240.057 |
| Exact Mass | 238.969 |
| XLogP3 | 2.1246 |
| Mr | 51.8886 |
| PSA | 71.77 |
| Sequence | - |
| Atom number | 19 |
| Bond number | 20 |
| Ring number | 2 |
| Rotor number | 1 |
| Residues number | 0 |
| Canonical smiles | NC(=O)c1c[nH]c2c1cc(Br)cn2 |
