2-methyl-5-(6-nitro-2H-1,3-benzodioxol-5-yl)-1,3,4-oxadiazole
Chemical Structure Depiction of
2-methyl-5-(6-nitro-2H-1,3-benzodioxol-5-yl)-1,3,4-oxadiazole
2-methyl-5-(6-nitro-2H-1,3-benzodioxol-5-yl)-1,3,4-oxadiazole
Compound characteristics
| Compound ID: | 8020-8881 |
| Compound Name: | 2-methyl-5-(6-nitro-2H-1,3-benzodioxol-5-yl)-1,3,4-oxadiazole |
| Molecular Weight: | 249.18 |
| Molecular Formula: | C10 H7 N3 O5 |
| Smiles: | Cc1nnc(c2cc3c(cc2[N+]([O-])=O)OCO3)o1 |
| Stereo: | ACHIRAL |
| logP: | 1.477 |
| logD: | 1.477 |
| logSw: | -2.0114 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 80.178 |
| InChI Key: | WGCTYDWHNBIGJK-UHFFFAOYSA-N |