3-methylbutyl 5-nitro-1H-pyrazole-4-carboxylate
3-methylbutyl 5-nitro-1H-pyrazole-4-carboxylate
Also Known As: 3-methylbutyl 5-nitro-1h-pyrazole-4-carboxylate|AB00079511-01
CAS: 5327-45-7
| Molecular Formula | C9H13N3O4 |
|---|---|
| Molecular Weight | 227.0906 g/mol |
| LogP | 1.5208 |
| Topological Polar Surface Area | 98.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 227.0906 |
| Monoisotopic Mass | 227.0906 |
| Heavy Atoms | 16 |
| Complexity | 385.86075 |
Chemical Identifiers
| CAS Number | 5327-45-7 |
|---|---|
| SMILES | CC(C)CCOC(=O)C1=C(NN=C1)[N+](=O)[O-] |
Product Overview
3-methylbutyl 5-nitro-1H-pyrazole-4-carboxylate (CAS 5327-45-7), with molecular formula C9H13N3O4 and molecular weight 227.0906 g/mol. IUPAC: 3-methylbutyl 5-nitro-1H-pyrazole-4-carboxylate.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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