(3,5,5-trimethyl-4H-pyrazol-3-yl) 4-nitrobenzoate
(3,5,5-trimethyl-4H-pyrazol-3-yl) 4-nitrobenzoate
Also Known As: (3,5,5-trimethyl-4H-pyrazol-3-yl) 4-nitrobenzoate|3,5,5-Trimethyl-4,5-dihydro-3H-pyrazol-3-yl 4-nitrobenzoate
CAS: 65441-82-9
| Molecular Formula | C13H15N3O4 |
|---|---|
| Molecular Weight | 277.10626 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 96.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 277.10626 |
| Monoisotopic Mass | 277.10626 |
| Heavy Atoms | 20 |
| Complexity | 435.0 |
Chemical Identifiers
| CAS Number | 65441-82-9 |
|---|---|
| SMILES | CC1(CC(N=N1)(C)OC(=O)C2=CC=C(C=C2)[N+](=O)[O-])C |
| InChIKey | QOFTYEXEVBBZJZ-UHFFFAOYSA-N |
Product Overview
(3,5,5-trimethyl-4H-pyrazol-3-yl) 4-nitrobenzoate (CAS 65441-82-9), with molecular formula C13H15N3O4 and molecular weight 277.10626 g/mol. IUPAC: (3,5,5-trimethyl-4H-pyrazol-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.
View MSDS →
(3,5,5-trimethyl-4H-pyrazol-3-yl) 4-nitrobenzoate is a custom synthesis product. We offer services from milligram to kilogram scale.
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