3-(difluoromethyl)-1-(2-fluoro-4-nitrophenyl)-1H-pyrazole-4-carboxylic acid
Chemical Structure Depiction of
3-(difluoromethyl)-1-(2-fluoro-4-nitrophenyl)-1H-pyrazole-4-carboxylic acid
3-(difluoromethyl)-1-(2-fluoro-4-nitrophenyl)-1H-pyrazole-4-carboxylic acid
Compound characteristics
| Compound ID: | Y507-1255 |
| Compound Name: | 3-(difluoromethyl)-1-(2-fluoro-4-nitrophenyl)-1H-pyrazole-4-carboxylic acid |
| Molecular Weight: | 301.18 |
| Molecular Formula: | C11 H6 F3 N3 O4 |
| Smiles: | c1cc(c(cc1[N+]([O-])=O)F)n1cc(C(O)=O)c(C(F)F)n1 |
| Stereo: | ACHIRAL |
| logP: | 2.2876 |
| logD: | -2.9795 |
| logSw: | -2.4984 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.631 |
| InChI Key: | VXLOXEUEYJTXDZ-UHFFFAOYSA-N |