(3,5,5-trimethyl-1-oxido-4H-pyrazol-1-ium-3-yl) 4-nitrobenzoate
(3,5,5-trimethyl-1-oxido-4H-pyrazol-1-ium-3-yl) 4-nitrobenzoate
Also Known As: (3,5,5-trimethyl-1-oxido-4H-pyrazol-1-ium-3-yl) 4-nitrobenzoate|3,5,5-Trimethyl-1-oxo-4,5-dihydro-3H-1lambda~5~-pyrazol-3-yl 4-nitrobenzoate
CAS: 65441-90-9
| Molecular Formula | C13H15N3O5 |
|---|---|
| Molecular Weight | 293.10117 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 113.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 293.10117 |
| Monoisotopic Mass | 293.10117 |
| Heavy Atoms | 21 |
| Complexity | 477.0 |
Chemical Identifiers
| CAS Number | 65441-90-9 |
|---|---|
| SMILES | CC1(CC(N=[N+]1[O-])(C)OC(=O)C2=CC=C(C=C2)[N+](=O)[O-])C |
| InChIKey | APKADHZFJWUMNB-UHFFFAOYSA-N |
Product Overview
(3,5,5-trimethyl-1-oxido-4H-pyrazol-1-ium-3-yl) 4-nitrobenzoate (CAS 65441-90-9), with molecular formula C13H15N3O5 and molecular weight 293.10117 g/mol. IUPAC: (3,5,5-trimethyl-1-oxido-4H-pyrazol-1-ium-3-yl) 4-nitrobenzoate.
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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(3,5,5-trimethyl-1-oxido-4H-pyrazol-1-ium-3-yl) 4-nitrobenzoate is a custom synthesis product. We offer services from milligram to kilogram scale.
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