Base information
| Cat. No. | |
| CAS No. | 58123-69-6 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C8H4BrNO2 |
| Molecular Weight | 226.027 |
| Exact Mass | 224.943 |
| XLogP3 | 2.01898 |
| Mr | 45.8163 |
| PSA | 61.09 |
| Sequence | - |
| Atom number | 16 |
| Bond number | 16 |
| Ring number | 1 |
| Rotor number | 1 |
| Residues number | 0 |
| Canonical smiles | N#Cc1ccc(cc1Br)C(=O)O |
