1-[(4-chlorophenyl)methyl]-3-nitro-1H-pyrazole-4-carboxylic acid
Chemical Structure Depiction of
1-[(4-chlorophenyl)methyl]-3-nitro-1H-pyrazole-4-carboxylic acid
1-[(4-chlorophenyl)methyl]-3-nitro-1H-pyrazole-4-carboxylic acid
Compound characteristics
| Compound ID: | Y507-1269 |
| Compound Name: | 1-[(4-chlorophenyl)methyl]-3-nitro-1H-pyrazole-4-carboxylic acid |
| Molecular Weight: | 281.65 |
| Molecular Formula: | C11 H8 Cl N3 O4 |
| Smiles: | C(c1ccc(cc1)[Cl])n1cc(C(O)=O)c(n1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 2.1996 |
| logD: | -2.3579 |
| logSw: | -2.8392 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.243 |
| InChI Key: | COXYLUCCFHEQDO-UHFFFAOYSA-N |