methyl 6-bromo-2-methyl-5-[(3-nitrophenyl)methoxy]-1-benzofuran-3-carboxylate
Chemical Structure Depiction of
methyl 6-bromo-2-methyl-5-[(3-nitrophenyl)methoxy]-1-benzofuran-3-carboxylate
methyl 6-bromo-2-methyl-5-[(3-nitrophenyl)methoxy]-1-benzofuran-3-carboxylate
Compound characteristics
| Compound ID: | 4554-4842 |
| Compound Name: | methyl 6-bromo-2-methyl-5-[(3-nitrophenyl)methoxy]-1-benzofuran-3-carboxylate |
| Molecular Weight: | 420.21 |
| Molecular Formula: | C18 H14 Br N O6 |
| Smiles: | Cc1c(C(=O)OC)c2cc(c(cc2o1)[Br])OCc1cccc(c1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 4.6707 |
| logD: | 4.6707 |
| logSw: | -4.8775 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 70.055 |
| InChI Key: | SMGTYHFNFXTZBB-UHFFFAOYSA-N |