methyl [(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methanesulfonyl]acetate
Chemical Structure Depiction of
methyl [(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methanesulfonyl]acetate
methyl [(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methanesulfonyl]acetate
Compound characteristics
| Compound ID: | Y500-7320 |
| Compound Name: | methyl [(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methanesulfonyl]acetate |
| Molecular Weight: | 291.28 |
| Molecular Formula: | C9 H13 N3 O6 S |
| Smiles: | Cc1c(c(C)n(CS(CC(=O)OC)(=O)=O)n1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | -0.7665 |
| logD: | -0.7665 |
| logSw: | -0.8569 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 94.991 |
| InChI Key: | SFJGIFWVISKYGM-UHFFFAOYSA-N |