N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-nitroaniline
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-nitroaniline
N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-nitroaniline
Compound characteristics
| Compound ID: | 0517-0051 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-nitroaniline |
| Molecular Weight: | 272.26 |
| Molecular Formula: | C14 H12 N2 O4 |
| Smiles: | C(c1ccc2c(c1)OCO2)Nc1cccc(c1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.1525 |
| logD: | 3.1525 |
| logSw: | -3.2762 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.97 |
| InChI Key: | ZWBFXQHQQBRJCG-UHFFFAOYSA-N |