HuagongsheHuagongshe Chemistry Print Report · For research reference only
1-(o-Methylbenzyl)-imidazole-4,5-dinitrile
Identifiers & Physical Properties
| Molecular formula | C13H10N4 |
|---|---|
| Average molar mass | 222.24 g/mol |
| SMILES | Cc1ccccc1Cn1cnc(C#N)c1C#N |
| InChIKey | NKZGDSHDEGLKGS-UHFFFAOYSA-N |
| PubChem CID | 20031024 |
Chemical & Physical Properties
| XLogP | 2.1 |
|---|---|
| Topological polar surface area | 65.4 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 3 |
| Rotatable bonds | 2 |
| Heavy atoms | 17 |
| Formal charge | 0 |
| Complexity | 360 |