ethyl 4-[(2H-1,3-benzodioxol-5-yl)oxy]-3-nitrobenzoate
Chemical Structure Depiction of
ethyl 4-[(2H-1,3-benzodioxol-5-yl)oxy]-3-nitrobenzoate
ethyl 4-[(2H-1,3-benzodioxol-5-yl)oxy]-3-nitrobenzoate
Compound characteristics
| Compound ID: | 8018-0373 |
| Compound Name: | ethyl 4-[(2H-1,3-benzodioxol-5-yl)oxy]-3-nitrobenzoate |
| Molecular Weight: | 331.28 |
| Molecular Formula: | C16 H13 N O7 |
| Smiles: | CCOC(c1ccc(c(c1)[N+]([O-])=O)Oc1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4782 |
| logD: | 3.4782 |
| logSw: | -3.8997 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 78.022 |
| InChI Key: | ZSNYKCXGLDMSLT-UHFFFAOYSA-N |