Base information
| Cat. No. | |
| CAS No. | 121487-13-6 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C8H11BrN2O |
| Molecular Weight | 231.09 |
| Exact Mass | 230.005 |
| XLogP3 | 2.4164 |
| Mr | 50.683 |
| PSA | 35.01 |
| Sequence | - |
| Atom number | 23 |
| Bond number | 23 |
| Ring number | 1 |
| Rotor number | 2 |
| Residues number | 0 |
| Canonical smiles | CC(Oc1ncc(cn1)Br)(C)C |
