4-nitro-1-{[(2,3,5,6-tetrafluorophenyl)sulfanyl]methyl}-1H-pyrazole
Chemical Structure Depiction of
4-nitro-1-{[(2,3,5,6-tetrafluorophenyl)sulfanyl]methyl}-1H-pyrazole
4-nitro-1-{[(2,3,5,6-tetrafluorophenyl)sulfanyl]methyl}-1H-pyrazole
Compound characteristics
| Compound ID: | Y501-9526 |
| Compound Name: | 4-nitro-1-{[(2,3,5,6-tetrafluorophenyl)sulfanyl]methyl}-1H-pyrazole |
| Molecular Weight: | 307.22 |
| Molecular Formula: | C10 H5 F4 N3 O2 S |
| Smiles: | C(n1cc(cn1)[N+]([O-])=O)Sc1c(c(cc(c1F)F)F)F |
| Stereo: | ACHIRAL |
| logP: | 2.7969 |
| logD: | 2.7969 |
| logSw: | -3.1325 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 46.254 |
| InChI Key: | XBGHMGRQQFDPSE-UHFFFAOYSA-N |