5-chloro-3-methyl-1-(4-nitrophenyl)-1H-pyrazole-4-sulfonic acid
Chemical Structure Depiction of
5-chloro-3-methyl-1-(4-nitrophenyl)-1H-pyrazole-4-sulfonic acid
5-chloro-3-methyl-1-(4-nitrophenyl)-1H-pyrazole-4-sulfonic acid
Compound characteristics
| Compound ID: | 2418-0562 |
| Compound Name: | 5-chloro-3-methyl-1-(4-nitrophenyl)-1H-pyrazole-4-sulfonic acid |
| Molecular Weight: | 317.7 |
| Molecular Formula: | C10 H8 Cl N3 O5 S |
| Smiles: | Cc1c(c(n(c2ccc(cc2)[N+]([O-])=O)n1)[Cl])S(O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | -0.6053 |
| logD: | -14.0323 |
| logSw: | -2.0262 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 90.834 |
| InChI Key: | UWTXLBHZBXHZCS-UHFFFAOYSA-N |