methyl 4-[(2H-1,3-benzodioxol-5-yl)oxy]-3-nitrobenzoate
Chemical Structure Depiction of
methyl 4-[(2H-1,3-benzodioxol-5-yl)oxy]-3-nitrobenzoate
methyl 4-[(2H-1,3-benzodioxol-5-yl)oxy]-3-nitrobenzoate
Compound characteristics
| Compound ID: | 8018-3005 |
| Compound Name: | methyl 4-[(2H-1,3-benzodioxol-5-yl)oxy]-3-nitrobenzoate |
| Molecular Weight: | 317.25 |
| Molecular Formula: | C15 H11 N O7 |
| Smiles: | COC(c1ccc(c(c1)[N+]([O-])=O)Oc1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9675 |
| logD: | 2.9675 |
| logSw: | -3.5511 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 78.443 |
| InChI Key: | UOIAVEYZNBADLI-UHFFFAOYSA-N |