propan-2-yl 3-chloro-6-nitro-1-benzothiophene-2-carboxylate
Chemical Structure Depiction of
propan-2-yl 3-chloro-6-nitro-1-benzothiophene-2-carboxylate
propan-2-yl 3-chloro-6-nitro-1-benzothiophene-2-carboxylate
Compound characteristics
| Compound ID: | F235-0859 |
| Compound Name: | propan-2-yl 3-chloro-6-nitro-1-benzothiophene-2-carboxylate |
| Molecular Weight: | 299.73 |
| Molecular Formula: | C12 H10 Cl N O4 S |
| Smiles: | CC(C)OC(c1c(c2ccc(cc2s1)[N+]([O-])=O)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 4.4149 |
| logD: | 4.4149 |
| logSw: | -4.7341 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 54.799 |
| InChI Key: | DXDWNMSLCUDUDU-UHFFFAOYSA-N |