Base information
| Cat. No. | |
| CAS No. | 1459253-64-5 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C8H4BrN3 |
| Molecular Weight | 222.041 |
| Exact Mass | 220.959 |
| XLogP3 | 2.19708 |
| Mr | 48.5087 |
| PSA | 52.47 |
| Sequence | - |
| Atom number | 16 |
| Bond number | 17 |
| Ring number | 2 |
| Rotor number | 0 |
| Residues number | 0 |
| Canonical smiles | N#Cc1c(Br)ccc2c1cn[nH]2 |
