HuagongsheHuagongshe Chemistry Print Report · For research reference only
O-benzotriazol-1-yl-tetramethyluronium
Identifiers & Physical Properties
| CAS No. | 221036-98-2 |
|---|---|
| Molecular formula | C11H16N5O+ |
| Average molar mass | 234.28 g/mol |
| Monoisotopic mass | 234.13548515 g/mol |
| SMILES | CN(C)C(On1nnc2ccccc21)=[N+](C)C |
| InChIKey | CLZISMQKJZCZDN-UHFFFAOYSA-N |
| PubChem CID | 130500 |
Chemical & Physical Properties
| XLogP | 1.4 |
|---|---|
| Topological polar surface area | 46.2 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 3 |
| Rotatable bonds | 3 |
| Heavy atoms | 17 |
| Formal charge | 1 |
| Complexity | 287 |