Base information
| Cat. No. | |
| CAS No. | 40557-20-8 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C4H6BrNO |
| Molecular Weight | 164.001 |
| Exact Mass | 162.963 |
| XLogP3 | 0.5986 |
| Mr | 34.0147 |
| PSA | 29.1 |
| Sequence | - |
| Atom number | 13 |
| Bond number | 13 |
| Ring number | 1 |
| Rotor number | 0 |
| Residues number | 0 |
| Canonical smiles | O=C1NCCC1Br |
