7-(4-Methylbenzene-1-sulfonyl)-4-nitro-1-oxo-2,1lambda~5~,3-benzoxadiazole
4-(4-methylphenyl)sulfonyl-7-nitro-3-oxido-2,1,3-benzoxadiazol-3-ium
Also Known As: 7-(4-Methylbenzene-1-sulfonyl)-4-nitro-1-oxo-2,1lambda~5~,3-benzoxadiazole|4-(4-methylphenyl)sulfonyl-7-nitro-3-oxido-2,1,3-benzoxadiazol-3-ium
CAS: 53619-58-2
| Molecular Formula | C13H9N3O6S |
|---|---|
| Molecular Weight | 335.0212 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 140.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 335.0212 |
| Monoisotopic Mass | 335.0212 |
| Heavy Atoms | 23 |
| Complexity | 551.0 |
Chemical Identifiers
| CAS Number | 53619-58-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)C2=CC=C(C3=NO[N+](=C23)[O-])[N+](=O)[O-] |
| InChIKey | ZGRJZIXAPJLNMK-UHFFFAOYSA-N |
Product Overview
7-(4-Methylbenzene-1-sulfonyl)-4-nitro-1-oxo-2,1lambda~5~,3-benzoxadiazole (CAS 53619-58-2), with molecular formula C13H9N3O6S and molecular weight 335.0212 g/mol. IUPAC: 4-(4-methylphenyl)sulfonyl-7-nitro-3-oxido-2,1,3-benzoxadiazol-3-ium.
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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7-(4-Methylbenzene-1-sulfonyl)-4-nitro-1-oxo-2,1lambda~5~,3-benzoxadiazole is a custom synthesis product. We offer services from milligram to kilogram scale.
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