ethyl 5-nitro-1-benzothiophene-2-carboxylate
Chemical Structure Depiction of
ethyl 5-nitro-1-benzothiophene-2-carboxylate
ethyl 5-nitro-1-benzothiophene-2-carboxylate
Compound characteristics
| Compound ID: | 8018-4730 |
| Compound Name: | ethyl 5-nitro-1-benzothiophene-2-carboxylate |
| Molecular Weight: | 251.26 |
| Molecular Formula: | C11 H9 N O4 S |
| Smiles: | CCOC(c1cc2cc(ccc2s1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6175 |
| logD: | 3.6175 |
| logSw: | -3.8191 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 55.12 |
| InChI Key: | DFGBQJHVCMFVID-UHFFFAOYSA-N |