1-(2,2-difluoroethyl)-3-nitro-1H-pyrazole-5-carboxylic acid
Chemical Structure Depiction of
1-(2,2-difluoroethyl)-3-nitro-1H-pyrazole-5-carboxylic acid
1-(2,2-difluoroethyl)-3-nitro-1H-pyrazole-5-carboxylic acid
Compound characteristics
| Compound ID: | Y507-0998 |
| Compound Name: | 1-(2,2-difluoroethyl)-3-nitro-1H-pyrazole-5-carboxylic acid |
| Molecular Weight: | 221.12 |
| Molecular Formula: | C6 H5 F2 N3 O4 |
| Smiles: | C(C(F)F)n1c(cc(n1)[N+]([O-])=O)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | -0.1817 |
| logD: | -4.4025 |
| logSw: | -0.8327 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.721 |
| InChI Key: | VDNHRCQEECDUFH-UHFFFAOYSA-N |