Base information
| Cat. No. | |
| CAS No. | 53242-18-5 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C6H7BrN2O |
| Molecular Weight | 203.037 |
| Exact Mass | 201.974 |
| XLogP3 | 2.0161 |
| Mr | 42.8334 |
| PSA | 48.14 |
| Sequence | - |
| Atom number | 17 |
| Bond number | 17 |
| Ring number | 1 |
| Rotor number | 1 |
| Residues number | 0 |
| Canonical smiles | COc1ncc(cc1Br)N |
