Base information
| Cat. No. | |
| CAS No. | 1234616-07-9 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C8H6BrN3O2 |
| Molecular Weight | 256.056 |
| Exact Mass | 254.964 |
| XLogP3 | 1.2784 |
| Mr | 51.9665 |
| PSA | 56.49 |
| Sequence | - |
| Atom number | 20 |
| Bond number | 21 |
| Ring number | 2 |
| Rotor number | 2 |
| Residues number | 0 |
| Canonical smiles | COC(=O)c1ccc2n(n1)c(Br)cn2 |
