sodium--5-[(6-bromo-4,7-dimethoxy-2H-1,3-benzodioxol-5-yl)methyl]-4,5-dihydro-1,2-oxazole-3-carboxylate (1/1)
Chemical Structure Depiction of
sodium--5-[(6-bromo-4,7-dimethoxy-2H-1,3-benzodioxol-5-yl)methyl]-4,5-dihydro-1,2-oxazole-3-carboxylate (1/1)
sodium--5-[(6-bromo-4,7-dimethoxy-2H-1,3-benzodioxol-5-yl)methyl]-4,5-dihydro-1,2-oxazole-3-carboxylate (1/1)
Compound characteristics
| Compound ID: | 8019-5357 |
| Compound Name: | sodium--5-[(6-bromo-4,7-dimethoxy-2H-1,3-benzodioxol-5-yl)methyl]-4,5-dihydro-1,2-oxazole-3-carboxylate (1/1) |
| Molecular Weight: | 410.15 |
| Molecular Formula: | C14 H13 Br N O7 |
| Salt: | Na+ |
| Smiles: | COc1c(CC2CC(C([O-])=O)=NO2)c(c(c2c1OCO2)OC)[Br] |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.2844 |
| logD: | 2.2844 |
| logSw: | -2.0066 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 83.401 |
| InChI Key: | VCBJIAJIEHILLE-LURJTMIESA-M |