Base information
| Cat. No. | |
| CAS No. | 115905-43-6 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C6H3BrN4 |
| Molecular Weight | 211.019 |
| Exact Mass | 209.954 |
| XLogP3 | 0.92596 |
| Mr | 40.619 |
| PSA | 65.4 |
| Sequence | - |
| Atom number | 14 |
| Bond number | 14 |
| Ring number | 1 |
| Rotor number | 0 |
| Residues number | 0 |
| Canonical smiles | N#Cc1c(C#N)nc(n1C)Br |
