Base information
| Cat. No. | |
| CAS No. | 1096471-98-5 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C12H8ClN3O2 |
| Molecular Weight | 261.664 |
| Exact Mass | 261.031 |
| XLogP3 | 2.5511 |
| Mr | 67.6842 |
| PSA | 67.87 |
| Sequence | - |
| Atom number | 26 |
| Bond number | 28 |
| Ring number | 3 |
| Rotor number | 2 |
| Residues number | 0 |
| Canonical smiles | COC(=O)c1ccc2c(c1)[nH]c1c2c(Cl)ncn1 |
