Base information
| Cat. No. | |
| CAS No. | 1187-46-8 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C5H6BrNO2 |
| Molecular Weight | 192.011 |
| Exact Mass | 190.958 |
| XLogP3 | 0.83658 |
| Mr | 35.053 |
| PSA | 50.09 |
| Sequence | - |
| Atom number | 15 |
| Bond number | 14 |
| Ring number | 0 |
| Rotor number | 3 |
| Residues number | 0 |
| Canonical smiles | CCOC(=O)C(C#N)Br |
