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 |