Base information
| Cat. No. | |
| CAS No. | 173208-24-7 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C5H6BrNO |
| Molecular Weight | 176.011 |
| Exact Mass | 174.963 |
| XLogP3 | 0.5216 |
| Mr | 35.1827 |
| PSA | 29.1 |
| Sequence | - |
| Atom number | 14 |
| Bond number | 13 |
| Ring number | 0 |
| Rotor number | 3 |
| Residues number | 0 |
| Canonical smiles | BrCC(=O)NCC#C |
