1-[2-(3-nitrophenyl)-2-oxoethyl]pyridin-1-ium--bromide (1/1)
Chemical Structure Depiction of
1-[2-(3-nitrophenyl)-2-oxoethyl]pyridin-1-ium--bromide (1/1)
1-[2-(3-nitrophenyl)-2-oxoethyl]pyridin-1-ium--bromide (1/1)
Compound characteristics
| Compound ID: | 0327-0297 |
| Compound Name: | 1-[2-(3-nitrophenyl)-2-oxoethyl]pyridin-1-ium--bromide (1/1) |
| Molecular Weight: | 323.14 |
| Molecular Formula: | C13 H11 N2 O3 |
| Salt: | Br- |
| Smiles: | C(C(c1cccc(c1)[N+]([O-])=O)=O)[n+]1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 2.0314 |
| logD: | 2.0314 |
| logSw: | -2.4427 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 49.66 |
| InChI Key: | IZCUMBRJZVGTIX-UHFFFAOYSA-N |