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 |