Base information
| Cat. No. | |
| CAS No. | 1428532-91-5 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C7H10BrClN2O |
| Molecular Weight | 253.524 |
| Exact Mass | 251.967 |
| XLogP3 | 2.8137 |
| Mr | 53.0674 |
| PSA | 48.14 |
| Sequence | - |
| Atom number | 22 |
| Bond number | 21 |
| Ring number | 1 |
| Rotor number | 2 |
| Residues number | 0 |
| Canonical smiles | COc1ncc(cc1CN)Br.Cl |
