4-{[4-chloro-3-(trifluoromethyl)-1H-pyrazol-1-yl]methyl}benzoic acid
Chemical Structure Depiction of
4-{[4-chloro-3-(trifluoromethyl)-1H-pyrazol-1-yl]methyl}benzoic acid
4-{[4-chloro-3-(trifluoromethyl)-1H-pyrazol-1-yl]methyl}benzoic acid
Compound characteristics
| Compound ID: | Y507-0362 |
| Compound Name: | 4-{[4-chloro-3-(trifluoromethyl)-1H-pyrazol-1-yl]methyl}benzoic acid |
| Molecular Weight: | 304.65 |
| Molecular Formula: | C12 H8 Cl F3 N2 O2 |
| Smiles: | C(c1ccc(cc1)C(O)=O)n1cc(c(C(F)(F)F)n1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 3.0711 |
| logD: | 0.0996 |
| logSw: | -3.3477 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 43.699 |
| InChI Key: | NBNKTCZKXRYYLX-UHFFFAOYSA-N |