5-[(4,6-dibromo-7-methoxy-2H-1,3-benzodioxol-5-yl)methyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid
Chemical Structure Depiction of
5-[(4,6-dibromo-7-methoxy-2H-1,3-benzodioxol-5-yl)methyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid
5-[(4,6-dibromo-7-methoxy-2H-1,3-benzodioxol-5-yl)methyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid
Compound characteristics
| Compound ID: | 8019-5365 |
| Compound Name: | 5-[(4,6-dibromo-7-methoxy-2H-1,3-benzodioxol-5-yl)methyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid |
| Molecular Weight: | 437.04 |
| Molecular Formula: | C13 H11 Br2 N O6 |
| Smiles: | COc1c2c(c(c(CC3CC(C(O)=O)=NO3)c1[Br])[Br])OCO2 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.9573 |
| logD: | -0.8137 |
| logSw: | -2.8626 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.684 |
| InChI Key: | GHFICZQNYWFXJI-YFKPBYRVSA-N |