4-chloro-1-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxylic acid
Chemical Structure Depiction of
4-chloro-1-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxylic acid
4-chloro-1-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxylic acid
Compound characteristics
| Compound ID: | Y507-0897 |
| Compound Name: | 4-chloro-1-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxylic acid |
| Molecular Weight: | 228.55 |
| Molecular Formula: | C6 H4 Cl F3 N2 O2 |
| Smiles: | C(C(F)(F)F)n1cc(c(C(O)=O)n1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 0.9414 |
| logD: | -3.1677 |
| logSw: | -1.9395 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 43.97 |
| InChI Key: | XNUPYEQBUFJBPP-UHFFFAOYSA-N |