ethyl 4-bromo-2-formyl-7-methyl-5-[(3-nitrobenzoyl)oxy]-1-benzofuran-3-carboxylate
Chemical Structure Depiction of
ethyl 4-bromo-2-formyl-7-methyl-5-[(3-nitrobenzoyl)oxy]-1-benzofuran-3-carboxylate
ethyl 4-bromo-2-formyl-7-methyl-5-[(3-nitrobenzoyl)oxy]-1-benzofuran-3-carboxylate
Compound characteristics
| Compound ID: | 1486-0330 |
| Compound Name: | ethyl 4-bromo-2-formyl-7-methyl-5-[(3-nitrobenzoyl)oxy]-1-benzofuran-3-carboxylate |
| Molecular Weight: | 476.24 |
| Molecular Formula: | C20 H14 Br N O8 |
| Smiles: | CCOC(c1c2c(c(cc(C)c2oc1C=O)OC(c1cccc(c1)[N+]([O-])=O)=O)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 4.2467 |
| logD: | 4.2467 |
| logSw: | -4.7572 |
| Hydrogen bond acceptors count: | 13 |
| Polar surface area: | 96.927 |
| InChI Key: | HDIBSMIOVYGDMO-UHFFFAOYSA-N |