Base information
| Cat. No. | |
| CAS No. | 1250115-39-9 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C6H5BrN4 |
| Molecular Weight | 213.035 |
| Exact Mass | 211.97 |
| XLogP3 | 1.8838 |
| Mr | 45.9931 |
| PSA | 67.59 |
| Sequence | - |
| Atom number | 16 |
| Bond number | 17 |
| Ring number | 2 |
| Rotor number | 0 |
| Residues number | 0 |
| Canonical smiles | Brc1cnc2c(c1)nc([nH]2)N |
