1-(2-nitro-1-benzothiophen-3-yl)pyridin-1-ium--bromide (1/1)
Chemical Structure Depiction of
1-(2-nitro-1-benzothiophen-3-yl)pyridin-1-ium--bromide (1/1)
1-(2-nitro-1-benzothiophen-3-yl)pyridin-1-ium--bromide (1/1)
Compound characteristics
| Compound ID: | 1147-0009 |
| Compound Name: | 1-(2-nitro-1-benzothiophen-3-yl)pyridin-1-ium--bromide (1/1) |
| Molecular Weight: | 337.19 |
| Molecular Formula: | C13 H9 N2 O2 S |
| Salt: | Br- |
| Smiles: | c1cc[n+](cc1)c1c2ccccc2sc1[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.1701 |
| logD: | 3.1701 |
| logSw: | -3.3403 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 36.783 |
| InChI Key: | ZVCTYYFYKIXDAS-UHFFFAOYSA-N |