Base information
| Cat. No. | |
| CAS No. | 1000344-11-5 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C7H6BrN3O |
| Molecular Weight | 228.046 |
| Exact Mass | 226.969 |
| XLogP3 | 1.7821 |
| Mr | 51.0238 |
| PSA | 74.67 |
| Sequence | - |
| Atom number | 18 |
| Bond number | 19 |
| Ring number | 2 |
| Rotor number | 0 |
| Residues number | 0 |
| Canonical smiles | Nc1ccc2c(c1Br)c(=O)[nH][nH]2 |
