3-bromo-1-[2-(4-methoxy-3-nitrophenyl)-2-oxoethyl]quinolin-1-ium--bromide (1/1)
Chemical Structure Depiction of
3-bromo-1-[2-(4-methoxy-3-nitrophenyl)-2-oxoethyl]quinolin-1-ium--bromide (1/1)
3-bromo-1-[2-(4-methoxy-3-nitrophenyl)-2-oxoethyl]quinolin-1-ium--bromide (1/1)
Compound characteristics
| Compound ID: | 0986-0280 |
| Compound Name: | 3-bromo-1-[2-(4-methoxy-3-nitrophenyl)-2-oxoethyl]quinolin-1-ium--bromide (1/1) |
| Molecular Weight: | 482.13 |
| Molecular Formula: | C18 H14 Br N2 O4 |
| Salt: | Br- |
| Smiles: | COc1ccc(cc1[N+]([O-])=O)C(C[n+]1cc(cc2ccccc12)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 3.9402 |
| logD: | 3.9402 |
| logSw: | -4.1802 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 54.91 |
| InChI Key: | GXSUWOAREBDPHE-UHFFFAOYSA-N |