Determine the necessary mass, volume, or concentration for preparing a solution.
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analytical standard Analytical standard for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Normal Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Sonrisas canónicas | COP(=O)(OC)SCN1C2=C(C=C(C=N2)Cl)OC1=O |
|---|---|
| IUPAC Name | 6-chloro-3-(dimethoxyphosphorylsulfanylmethyl)-[1,3]oxazolo[4,5-b]pyridin-2-one |
| InChIKey | VNKBTWQZTQIWDV-UHFFFAOYSA-N |
| INCHI | 1S/C9H10ClN2O5PS/c1-15-18(14,16-2)19-5-12-8-7(17-9(12)13)3-6(10)4-11-8/h3-4H,5H2,1-2H3 |
| Isómeros SMILES | COP(=O)(OC)SCN1C2=C(C=C(C=N2)Cl)OC1=O |
| Número ONU | 2811 |
| Grupo de embalaje | III |
| Peso molecular | 324.68 |
| Reaxy-Rn | 1086470 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1086470&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Clase | Oxazolopyridines |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Oxazolopyridines |
| Alternative Parents | Pyridines and derivatives Aryl chlorides Oxazoles Heteroaromatic compounds Sulfenyl compounds Oxacyclic compounds Organothiophosphorus compounds Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | 1,3-oxazolopyridine - Aryl chloride - Aryl halide - Pyridine - Azole - Oxazole - Heteroaromatic compound - Azacycle - Sulfenyl compound - Organothiophosphorus compound - Oxacycle - Organic oxide - Organopnictogen compound - Organic nitrogen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic oxygen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as oxazolopyridines. These are polycyclic compounds containing an oxazole ring fused to a pyridine ring. |
| External Descriptors | Organophosphorus insecticides |
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| Peso molecular | 324.680 g/mol |
|---|---|
| XLogP3 | 1.000 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 5 |
| Exact Mass | 323.974 Da |
| Monoisotopic Mass | 323.974 Da |
| Topological Polar Surface Area | 103.000 Ų |
| Heavy Atom Count | 19 |
| Formal Charge | 0 |
| Complexity | 393.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
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