Base information
| Cat. No. | |
| CAS No. | 666816-98-4 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C10H9BrN4O2 |
| Molecular Weight | 297.108 |
| Exact Mass | 295.991 |
| XLogP3 | 0.2091 |
| Mr | 67.4207 |
| PSA | 72.68 |
| Sequence | - |
| Atom number | 26 |
| Bond number | 27 |
| Ring number | 2 |
| Rotor number | 1 |
| Residues number | 0 |
| Canonical smiles | CC#CCn1c(Br)nc2c1c(=O)[nH]c(=O)n2C |
