methyl 3-amino-6-nitro-4-(2,2,2-trifluoroethoxy)-1-benzothiophene-2-carboxylate
Chemical Structure Depiction of
methyl 3-amino-6-nitro-4-(2,2,2-trifluoroethoxy)-1-benzothiophene-2-carboxylate
methyl 3-amino-6-nitro-4-(2,2,2-trifluoroethoxy)-1-benzothiophene-2-carboxylate
Compound characteristics
| Compound ID: | 8012-4893 |
| Compound Name: | methyl 3-amino-6-nitro-4-(2,2,2-trifluoroethoxy)-1-benzothiophene-2-carboxylate |
| Molecular Weight: | 350.27 |
| Molecular Formula: | C12 H9 F3 N2 O5 S |
| Smiles: | COC(c1c(c2c(cc(cc2s1)[N+]([O-])=O)OCC(F)(F)F)N)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2186 |
| logD: | 3.2186 |
| logSw: | -3.6598 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 82.513 |
| InChI Key: | ICXCRSHNQPUVNW-UHFFFAOYSA-N |