1-[2-(4-methoxy-3-nitrophenyl)-2-oxoethyl]-2,3-dimethylpyridin-1-ium--bromide (1/1)
Chemical Structure Depiction of
1-[2-(4-methoxy-3-nitrophenyl)-2-oxoethyl]-2,3-dimethylpyridin-1-ium--bromide (1/1)
1-[2-(4-methoxy-3-nitrophenyl)-2-oxoethyl]-2,3-dimethylpyridin-1-ium--bromide (1/1)
Compound characteristics
| Compound ID: | 0986-0279 |
| Compound Name: | 1-[2-(4-methoxy-3-nitrophenyl)-2-oxoethyl]-2,3-dimethylpyridin-1-ium--bromide (1/1) |
| Molecular Weight: | 381.22 |
| Molecular Formula: | C16 H17 N2 O4 |
| Salt: | Br- |
| Smiles: | Cc1ccc[n+](CC(c2ccc(c(c2)[N+]([O-])=O)OC)=O)c1C |
| Stereo: | ACHIRAL |
| logP: | 2.3772 |
| logD: | 2.3772 |
| logSw: | -2.5517 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 55.514 |
| InChI Key: | OTDNKKYZMLOZOH-UHFFFAOYSA-N |