methyl 3-amino-6-nitro-1-benzothiophene-2-carboxylate
Chemical Structure Depiction of
methyl 3-amino-6-nitro-1-benzothiophene-2-carboxylate
methyl 3-amino-6-nitro-1-benzothiophene-2-carboxylate
Compound characteristics
| Compound ID: | 8010-7786 |
| Compound Name: | methyl 3-amino-6-nitro-1-benzothiophene-2-carboxylate |
| Molecular Weight: | 252.25 |
| Molecular Formula: | C10 H8 N2 O4 S |
| Smiles: | COC(c1c(c2ccc(cc2s1)[N+]([O-])=O)N)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4959 |
| logD: | 2.4959 |
| logSw: | -2.7377 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.927 |
| InChI Key: | AVWYTSRBVOQDRA-UHFFFAOYSA-N |