Base information
| Cat. No. | |
| CAS No. | 1227592-44-0 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C7H6BrNO2 |
| Molecular Weight | 216.032 |
| Exact Mass | 214.958 |
| XLogP3 | 1.4712 |
| Mr | 43.4818 |
| PSA | 50.19 |
| Sequence | - |
| Atom number | 17 |
| Bond number | 17 |
| Ring number | 1 |
| Rotor number | 2 |
| Residues number | 0 |
| Canonical smiles | OC(=O)Cc1ccncc1Br |
