methyl 6-bromo-2-methyl-5-[(3-nitrobenzoyl)oxy]-1-benzofuran-3-carboxylate
Chemical Structure Depiction of
methyl 6-bromo-2-methyl-5-[(3-nitrobenzoyl)oxy]-1-benzofuran-3-carboxylate
methyl 6-bromo-2-methyl-5-[(3-nitrobenzoyl)oxy]-1-benzofuran-3-carboxylate
Compound characteristics
| Compound ID: | 3570-0694 |
| Compound Name: | methyl 6-bromo-2-methyl-5-[(3-nitrobenzoyl)oxy]-1-benzofuran-3-carboxylate |
| Molecular Weight: | 434.2 |
| Molecular Formula: | C18 H12 Br N O7 |
| Smiles: | Cc1c(C(=O)OC)c2cc(c(cc2o1)[Br])OC(c1cccc(c1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2159 |
| logD: | 4.2159 |
| logSw: | -4.7396 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 83.206 |
| InChI Key: | LMRLWUCOULJJTN-UHFFFAOYSA-N |