Base information
| Cat. No. | |
| CAS No. | 4592-94-3 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C9H6BrNO |
| Molecular Weight | 224.054 |
| Exact Mass | 222.963 |
| XLogP3 | 2.54548 |
| Mr | 48.8925 |
| PSA | 40.86 |
| Sequence | - |
| Atom number | 18 |
| Bond number | 18 |
| Ring number | 1 |
| Rotor number | 2 |
| Residues number | 0 |
| Canonical smiles | N#CCC(=O)c1ccc(cc1)Br |
