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 | C1C(ON=C1Br)C(=O)N |
|---|---|
| IUPAC Name | 3-bromo-4,5-dihydro-1,2-oxazole-5-carboxamide |
| InChIKey | NVMBOQJWLFNIMK-UHFFFAOYSA-N |
| INCHI | 1S/C4H5BrN2O2/c5-3-1-2(4(6)8)9-7-3/h2H,1H2,(H2,6,8) |
| Isómeros SMILES | C1C(ON=C1Br)C(=O)N |
| Peso molecular | 193 |
| Reaxy-Rn | 18339370 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=18339370&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Clase | Azolines |
| Subclass | Isoxazolines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Isoxazolines |
| Alternative Parents | Primary carboxylic acid amides Oxacyclic compounds Azacyclic compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aliphatic heteromonocyclic compounds |
| Substituents | Isoxazoline - Carboxamide group - Primary carboxylic acid amide - Carboxylic acid derivative - Oxacycle - Azacycle - Carbonyl group - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Aliphatic heteromonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as isoxazolines. These are compounds containing a five-member unsaturated aliphatic ring, with an oxygen atom adjacent to a nitrogen atoms, and three carbon atoms. |
| External Descriptors | Not available |
| Peso molecular | 193.000 g/mol |
|---|---|
| XLogP3 | -0.100 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 1 |
| Exact Mass | 191.953 Da |
| Monoisotopic Mass | 191.953 Da |
| Topological Polar Surface Area | 64.700 Ų |
| Heavy Atom Count | 9 |
| Formal Charge | 0 |
| Complexity | 168.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
