Base information
| Cat. No. | |
| CAS No. | 523977-64-2 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C8H4BrNO |
| Molecular Weight | 210.027 |
| Exact Mass | 208.948 |
| XLogP3 | 2.13328 |
| Mr | 44.2445 |
| PSA | 40.86 |
| Sequence | - |
| Atom number | 15 |
| Bond number | 15 |
| Ring number | 1 |
| Rotor number | 1 |
| Residues number | 0 |
| Canonical smiles | N#Cc1cc(Br)ccc1C=O |