Base information
| Cat. No. | |
| CAS No. | 81038-44-0 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C9H8BrNO2 |
| Molecular Weight | 242.069 |
| Exact Mass | 240.974 |
| XLogP3 | 2.22938 |
| Mr | 52.179 |
| PSA | 53.25 |
| Sequence | - |
| Atom number | 21 |
| Bond number | 21 |
| Ring number | 1 |
| Rotor number | 2 |
| Residues number | 0 |
| Canonical smiles | N#CCc1cc(OC)c(c(c1)Br)O |
