Base information
| Cat. No. | |
| CAS No. | 1454907-14-2 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C4H4BrNO2 |
| Molecular Weight | 177.984 |
| Exact Mass | 176.943 |
| XLogP3 | 0.9294 |
| Mr | 30.3308 |
| PSA | 46.26 |
| Sequence | - |
| Atom number | 12 |
| Bond number | 12 |
| Ring number | 1 |
| Rotor number | 1 |
| Residues number | 0 |
| Canonical smiles | OCc1ncc(o1)Br |
