Base information
| Cat. No. | |
| CAS No. | 6120-26-9 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C8H4BrNO2 |
| Molecular Weight | 226.027 |
| Exact Mass | 224.943 |
| XLogP3 | 2.04948 |
| Mr | 44.92 |
| PSA | 42.25 |
| Sequence | - |
| Atom number | 16 |
| Bond number | 17 |
| Ring number | 2 |
| Rotor number | 0 |
| Residues number | 0 |
| Canonical smiles | N#Cc1cc2OCOc2cc1Br |
