ethyl 6-nitro-2H-1,3-benzodioxole-5-carboxylate
Chemical Structure Depiction of
ethyl 6-nitro-2H-1,3-benzodioxole-5-carboxylate
ethyl 6-nitro-2H-1,3-benzodioxole-5-carboxylate
Compound characteristics
| Compound ID: | Y510-5035 |
| Compound Name: | ethyl 6-nitro-2H-1,3-benzodioxole-5-carboxylate |
| Molecular Weight: | 239.18 |
| Molecular Formula: | C10 H9 N O6 |
| Smiles: | CCOC(c1cc2c(cc1[N+]([O-])=O)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3649 |
| logD: | 2.3649 |
| logSw: | -2.5453 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 71.188 |
| InChI Key: | FPEIFEJQUTZDHK-UHFFFAOYSA-N |