4-[(4-chloro-3-nitro-1H-pyrazol-1-yl)methyl]-5-methyl-1,2-oxazole-3-carboxylic acid
Chemical Structure Depiction of
4-[(4-chloro-3-nitro-1H-pyrazol-1-yl)methyl]-5-methyl-1,2-oxazole-3-carboxylic acid
4-[(4-chloro-3-nitro-1H-pyrazol-1-yl)methyl]-5-methyl-1,2-oxazole-3-carboxylic acid
Compound characteristics
| Compound ID: | Y507-0635 |
| Compound Name: | 4-[(4-chloro-3-nitro-1H-pyrazol-1-yl)methyl]-5-methyl-1,2-oxazole-3-carboxylic acid |
| Molecular Weight: | 286.63 |
| Molecular Formula: | C9 H7 Cl N4 O5 |
| Smiles: | Cc1c(Cn2cc(c(n2)[N+]([O-])=O)[Cl])c(C(O)=O)no1 |
| Stereo: | ACHIRAL |
| logP: | 0.5088 |
| logD: | -3.0499 |
| logSw: | -1.868 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 98.475 |
| InChI Key: | VIYVMRNVXGPMJV-UHFFFAOYSA-N |