5-[2-(2H-1,3-benzodioxol-5-yl)ethenyl]-3-methyl-4-nitro-1,2-oxazole
Chemical Structure Depiction of
5-[2-(2H-1,3-benzodioxol-5-yl)ethenyl]-3-methyl-4-nitro-1,2-oxazole
5-[2-(2H-1,3-benzodioxol-5-yl)ethenyl]-3-methyl-4-nitro-1,2-oxazole
Compound characteristics
| Compound ID: | 8241-0083 |
| Compound Name: | 5-[2-(2H-1,3-benzodioxol-5-yl)ethenyl]-3-methyl-4-nitro-1,2-oxazole |
| Molecular Weight: | 274.23 |
| Molecular Formula: | C13 H10 N2 O5 |
| Smiles: | Cc1c(c(/C=C/c2ccc3c(c2)OCO3)on1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.158 |
| logD: | 3.158 |
| logSw: | -3.3177 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 71.649 |
| InChI Key: | BWHVGLMZYWXPBW-UHFFFAOYSA-N |