3-bromo-1-[2-(3-nitrophenyl)-2-oxoethyl]pyridin-1-ium
Chemical Structure Depiction of
3-bromo-1-[2-(3-nitrophenyl)-2-oxoethyl]pyridin-1-ium
3-bromo-1-[2-(3-nitrophenyl)-2-oxoethyl]pyridin-1-ium
Compound characteristics
| Compound ID: | 0327-0305 |
| Compound Name: | 3-bromo-1-[2-(3-nitrophenyl)-2-oxoethyl]pyridin-1-ium |
| Molecular Weight: | 402.04 |
| Molecular Formula: | C13 H10 Br N2 O3 |
| Salt: | Br- |
| Smiles: | C(C(c1cccc(c1)[N+]([O-])=O)=O)[n+]1cccc(c1)[Br] |
| Stereo: | ACHIRAL |
| logP: | 3.1444 |
| logD: | 3.1444 |
| logSw: | -3.2217 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 49.553 |
| InChI Key: | UVYQXGCQGKVLRH-UHFFFAOYSA-N |