N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-nitroaniline
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-nitroaniline
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-nitroaniline
Compound characteristics
| Compound ID: | 5260-0059 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-nitroaniline |
| Molecular Weight: | 272.26 |
| Molecular Formula: | C14 H12 N2 O4 |
| Smiles: | C(c1ccc2c(c1)OCO2)Nc1ccc(cc1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.138 |
| logD: | 3.138 |
| logSw: | -3.3289 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.97 |
| InChI Key: | PFLKVMJVHVUPMR-UHFFFAOYSA-N |