HuagongsheHuagongshe Chemistry Print Report · For research reference only
1-(4-bromophenyl)-1H-1,2,3-triazole-5-carboxylic acid
Identifiers & Physical Properties
| CAS No. | 20177-59-7 |
|---|---|
| Molecular formula | C9H6BrN3O2 |
| Average molar mass | 268.07 g/mol |
| Monoisotopic mass | 266.96434 g/mol |
| SMILES | O=C(O)c1cnnn1-c1ccc(Br)cc1 |
| InChIKey | YOWLKCGBMNMSNB-UHFFFAOYSA-N |
| PubChem CID | 28811300 |
| EC No. | 884-383-7 |
Chemical & Physical Properties
| XLogP | 1.9 |
|---|---|
| Topological polar surface area | 68 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 4 |
| Rotatable bonds | 2 |
| Heavy atoms | 15 |
| Formal charge | 0 |
| Complexity | 244 |