Base information
| Cat. No. | |
| CAS No. | 7713-76-0 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C9H10BrNO |
| Molecular Weight | 228.086 |
| Exact Mass | 226.995 |
| XLogP3 | 2.1285 |
| Mr | 51.7237 |
| PSA | 29.1 |
| Sequence | - |
| Atom number | 22 |
| Bond number | 22 |
| Ring number | 1 |
| Rotor number | 3 |
| Residues number | 0 |
| Canonical smiles | CNC(=O)Cc1ccc(cc1)Br |
