Base information
| Cat. No. | |
| CAS No. | 808127-75-5 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C9H8BrNO2 |
| Molecular Weight | 242.069 |
| Exact Mass | 240.974 |
| XLogP3 | 2.0299 |
| Mr | 55.5902 |
| PSA | 38.33 |
| Sequence | - |
| Atom number | 21 |
| Bond number | 22 |
| Ring number | 2 |
| Rotor number | 1 |
| Residues number | 0 |
| Canonical smiles | COc1cc(Br)c2c(c1)C(=O)NC2 |
