methyl 3-(acetyloxy)-4,6-dinitro-1-benzothiophene-2-carboxylate
Chemical Structure Depiction of
methyl 3-(acetyloxy)-4,6-dinitro-1-benzothiophene-2-carboxylate
methyl 3-(acetyloxy)-4,6-dinitro-1-benzothiophene-2-carboxylate
Compound characteristics
| Compound ID: | 8013-1524 |
| Compound Name: | methyl 3-(acetyloxy)-4,6-dinitro-1-benzothiophene-2-carboxylate |
| Molecular Weight: | 340.27 |
| Molecular Formula: | C12 H8 N2 O8 S |
| Smiles: | CC(=O)Oc1c2c(cc(cc2sc1C(=O)OC)[N+]([O-])=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 2.3448 |
| logD: | 2.3448 |
| logSw: | -2.5519 |
| Hydrogen bond acceptors count: | 14 |
| Polar surface area: | 109.546 |
| InChI Key: | JBEALWVCMTVPEC-UHFFFAOYSA-N |