HuagongsheHuagongshe Chemistry Print Report · For research reference only
3-Thiophenecarboxamide, N-(3-methoxyphenyl)-5-nitro-
Identifiers & Physical Properties
| CAS No. | 146795-27-9 |
|---|---|
| Molecular formula | C12H10N2O4S |
| Average molar mass | 278.29 g/mol |
| Monoisotopic mass | 278.03612798 g/mol |
| SMILES | COc1cccc(NC(=O)c2csc([N+](=O)[O-])c2)c1 |
| InChIKey | CDXQGIWEWRPRRL-UHFFFAOYSA-N |
| PubChem CID | 154607 |
| DTXSID | DTXSID50163477 |
Chemical & Physical Properties
| XLogP | 2.6 |
|---|---|
| Topological polar surface area | 112 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 5 |
| Rotatable bonds | 3 |
| Heavy atoms | 19 |
| Formal charge | 0 |
| Complexity | 347 |