Base information
| Cat. No. | |
| CAS No. | 745830-24-4 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C10H6BrNO |
| Molecular Weight | 236.065 |
| Exact Mass | 234.963 |
| XLogP3 | 2.8098 |
| Mr | 54.8305 |
| PSA | 29.96 |
| Sequence | - |
| Atom number | 19 |
| Bond number | 20 |
| Ring number | 2 |
| Rotor number | 1 |
| Residues number | 0 |
| Canonical smiles | O=Cc1cnc2c(c1)ccc(c2)Br |
