Base information
| Cat. No. | |
| CAS No. | 158958-74-8 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C13H8BrFN2 |
| Molecular Weight | 291.118 |
| Exact Mass | 289.985 |
| XLogP3 | 3.9029 |
| Mr | 68.286 |
| PSA | 17.3 |
| Sequence | - |
| Atom number | 25 |
| Bond number | 27 |
| Ring number | 3 |
| Rotor number | 1 |
| Residues number | 0 |
| Canonical smiles | Fc1ccc(cc1)c1nc2n(c1Br)cccc2 |
