Base information
| Cat. No. | |
| CAS No. | 2068065-16-5 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C8H4BrN3O |
| Molecular Weight | 238.041 |
| Exact Mass | 236.954 |
| XLogP3 | 1.67408 |
| Mr | 49.63 |
| PSA | 61.32 |
| Sequence | - |
| Atom number | 17 |
| Bond number | 18 |
| Ring number | 2 |
| Rotor number | 0 |
| Residues number | 0 |
| Canonical smiles | N#Cc1cnn2c1c(O)cc(c2)Br |
