methyl 2-methyl-5-[(3-nitrobenzoyl)oxy]-1-benzofuran-3-carboxylate
Chemical Structure Depiction of
methyl 2-methyl-5-[(3-nitrobenzoyl)oxy]-1-benzofuran-3-carboxylate
methyl 2-methyl-5-[(3-nitrobenzoyl)oxy]-1-benzofuran-3-carboxylate
Compound characteristics
| Compound ID: | 3570-0531 |
| Compound Name: | methyl 2-methyl-5-[(3-nitrobenzoyl)oxy]-1-benzofuran-3-carboxylate |
| Molecular Weight: | 355.3 |
| Molecular Formula: | C18 H13 N O7 |
| Smiles: | Cc1c(C(=O)OC)c2cc(ccc2o1)OC(c1cccc(c1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5078 |
| logD: | 3.5078 |
| logSw: | -4.0624 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 83.119 |
| InChI Key: | DEBVCFPSYXNEMV-UHFFFAOYSA-N |