HuagongsheHuagongshe Chemistry Print Report · For research reference only
5-(4-Nitrophenyl)-1,2-oxazole-4-carboxylic acid
Identifiers & Physical Properties
| CAS No. | 887408-20-0 |
|---|---|
| Molecular formula | C10H6N2O5 |
| Average molar mass | 234.16 g/mol |
| Monoisotopic mass | 234.0276713 g/mol |
| SMILES | O=C(O)c1cnoc1-c1ccc([N+](=O)[O-])cc1 |
| InChIKey | ICGHGLOTEHGCSB-UHFFFAOYSA-N |
| PubChem CID | 22831707 |
| DTXSID | DTXSID30628514 |
Chemical & Physical Properties
| XLogP | 1.4 |
|---|---|
| Topological polar surface area | 109 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 6 |
| Rotatable bonds | 2 |
| Heavy atoms | 17 |
| Formal charge | 0 |
| Complexity | 308 |