1-[(2-chloro-4-fluorophenyl)methyl]-3-nitro-1H-pyrazole-4-carboxylic acid
Chemical Structure Depiction of
1-[(2-chloro-4-fluorophenyl)methyl]-3-nitro-1H-pyrazole-4-carboxylic acid
1-[(2-chloro-4-fluorophenyl)methyl]-3-nitro-1H-pyrazole-4-carboxylic acid
Compound characteristics
| Compound ID: | Y507-1275 |
| Compound Name: | 1-[(2-chloro-4-fluorophenyl)methyl]-3-nitro-1H-pyrazole-4-carboxylic acid |
| Molecular Weight: | 299.64 |
| Molecular Formula: | C11 H7 Cl F N3 O4 |
| Smiles: | C(c1ccc(cc1[Cl])F)n1cc(C(O)=O)c(n1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 2.4985 |
| logD: | -2.059 |
| logSw: | -2.9926 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.243 |
| InChI Key: | AKPMDMFVVFJKFX-UHFFFAOYSA-N |