HuagongsheHuagongshe Chemistry Print Report · For research reference only
4-Nitrophenyl 2-ethyl-4-methoxybenzoxazole-7-carboxylate
Identifiers & Physical Properties
| Molecular formula | C17H14N2O6 |
|---|---|
| Average molar mass | 342.3 g/mol |
| Monoisotopic mass | 342.08518617 g/mol |
| SMILES | CCc1nc2c(OC)ccc(C(=O)Oc3ccc([N+](=O)[O-])cc3)c2o1 |
| InChIKey | WUMUKZQHKYFHRV-UHFFFAOYSA-N |
| PubChem CID | 18316632 |
Chemical & Physical Properties
| XLogP | 3.8 |
|---|---|
| Topological polar surface area | 107 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 7 |
| Rotatable bonds | 5 |
| Heavy atoms | 25 |
| Formal charge | 0 |
| Complexity | 488 |