3-{[4-nitro-3-(trifluoromethyl)-1H-pyrazol-1-yl]methyl}benzoic acid
Chemical Structure Depiction of
3-{[4-nitro-3-(trifluoromethyl)-1H-pyrazol-1-yl]methyl}benzoic acid
3-{[4-nitro-3-(trifluoromethyl)-1H-pyrazol-1-yl]methyl}benzoic acid
Compound characteristics
| Compound ID: | Y507-0845 |
| Compound Name: | 3-{[4-nitro-3-(trifluoromethyl)-1H-pyrazol-1-yl]methyl}benzoic acid |
| Molecular Weight: | 315.21 |
| Molecular Formula: | C12 H8 F3 N3 O4 |
| Smiles: | C(c1cccc(c1)C(O)=O)n1cc(c(C(F)(F)F)n1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 2.37 |
| logD: | -0.9914 |
| logSw: | -2.2816 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.779 |
| InChI Key: | QLPYRINEACCJCJ-UHFFFAOYSA-N |