3-[4-nitro-3-(trifluoromethyl)-1H-pyrazol-1-yl]propanoic acid
Chemical Structure Depiction of
3-[4-nitro-3-(trifluoromethyl)-1H-pyrazol-1-yl]propanoic acid
3-[4-nitro-3-(trifluoromethyl)-1H-pyrazol-1-yl]propanoic acid
Compound characteristics
| Compound ID: | Y507-0712 |
| Compound Name: | 3-[4-nitro-3-(trifluoromethyl)-1H-pyrazol-1-yl]propanoic acid |
| Molecular Weight: | 253.13 |
| Molecular Formula: | C7 H6 F3 N3 O4 |
| Smiles: | C(Cn1cc(c(C(F)(F)F)n1)[N+]([O-])=O)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | -0.0292 |
| logD: | -2.8494 |
| logSw: | -0.6663 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.005 |
| InChI Key: | PNTHOGCMEJAGNP-UHFFFAOYSA-N |