methyl 3-hydroxy-4,6-dinitro-1-benzothiophene-2-carboxylate
Chemical Structure Depiction of
methyl 3-hydroxy-4,6-dinitro-1-benzothiophene-2-carboxylate
methyl 3-hydroxy-4,6-dinitro-1-benzothiophene-2-carboxylate
Compound characteristics
| Compound ID: | 8013-1523 |
| Compound Name: | methyl 3-hydroxy-4,6-dinitro-1-benzothiophene-2-carboxylate |
| Molecular Weight: | 298.23 |
| Molecular Formula: | C10 H6 N2 O7 S |
| Smiles: | COC(c1c(c2c(cc(cc2s1)[N+]([O-])=O)[N+]([O-])=O)O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5271 |
| logD: | 2.1746 |
| logSw: | -2.4137 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 104.1 |
| InChI Key: | RVEUEHXRASBOTE-UHFFFAOYSA-N |