Base information
| Cat. No. | |
| CAS No. | 110164-84-6 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C4H6BrNO2 |
| Molecular Weight | 180 |
| Exact Mass | 178.958 |
| XLogP3 | -0.0884 |
| Mr | 36.3558 |
| PSA | 41.82 |
| Sequence | - |
| Atom number | 14 |
| Bond number | 14 |
| Ring number | 1 |
| Rotor number | 1 |
| Residues number | 0 |
| Canonical smiles | OCC1CC(=NO1)Br |
