Base information
| Cat. No. | |
| CAS No. | 774608-89-8 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C5H6BrN3O2 |
| Molecular Weight | 220.024 |
| Exact Mass | 218.964 |
| XLogP3 | 0.7439 |
| Mr | 40.1692 |
| PSA | 67.87 |
| Sequence | - |
| Atom number | 17 |
| Bond number | 17 |
| Ring number | 1 |
| Rotor number | 3 |
| Residues number | 0 |
| Canonical smiles | CCOC(=O)c1n[nH]c(n1)Br |
