Determine the necessary mass, volume, or concentration for preparing a solution.
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≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -20°C Ships Ice chest + Ice pads 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.
| Canonical Smiles | C1C(=O)NC(=O)N1N=CC2=NC=C(O2)C3=CC=C(C=C3)Br |
|---|---|
| IUPAC Name | 1-[(E)-[5-(4-bromophenyl)-1,3-oxazol-2-yl]methylideneamino]imidazolidine-2,4-dione |
| InChIKey | SEGCNGONCZQFDW-OMCISZLKSA-N |
| INCHI | 1S/C13H9BrN4O3/c14-9-3-1-8(2-4-9)10-5-15-12(21-10)6-16-18-7-11(19)17-13(18)20/h1-6H,7H2,(H,17,19,20)/b16-6+ |
| Isomeric SMILES | C1C(=O)NC(=O)N1/N=C/C2=NC=C(O2)C3=CC=C(C=C3)Br |
| Molecular Weight | 349.14 |
| Reaxy-Rn | 690756 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=690756&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 |
| Class | Azoles |
| Subclass | Oxazoles |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenyl-1,3-oxazoles |
| Alternative Parents | Hydantoins Alpha amino acids and derivatives 2,5-disubstituted oxazoles Bromobenzenes Semicarbazones Aryl bromides Heteroaromatic compounds Dicarboximides Organic carbonic acids and derivatives Oxacyclic compounds Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds Organobromides Organopnictogen compounds |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Hydantoin - Phenyl-1,3-oxazole - Alpha-amino acid or derivatives - 2,5-disubstituted 1,3-oxazole - Halobenzene - Bromobenzene - Aryl bromide - Imidazolidinone - Aryl halide - Monocyclic benzene moiety - Semicarbazone - Benzenoid - Semicarbazide - Imidazolidine - Dicarboximide - Heteroaromatic compound - Carbonic acid derivative - Carboxylic acid derivative - Azacycle - Oxacycle - Organic nitrogen compound - Organohalogen compound - Organobromide - Organonitrogen compound - Carbonyl group - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as phenyl-1,3-oxazoles. These are aromatic heterocyclic compounds containing a 1,3-oxazole substituted at one or more positions by a phenyl group. |
| External Descriptors | Not available |
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Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
| Certificate of Analysis | Dec 11, 2023 | A412853 | |
| Certificate of Analysis | Dec 11, 2023 | A412853 | |
| Certificate of Analysis | Dec 11, 2023 | A412853 | |
| Certificate of Analysis | Dec 11, 2023 | A412853 | |
| Certificate of Analysis | Dec 11, 2023 | A412853 | |
| Certificate of Analysis | Dec 11, 2023 | A412853 |
| Molecular Weight | 349.140 g/mol |
|---|---|
| XLogP3 | 1.900 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 3 |
| Exact Mass | 347.986 Da |
| Monoisotopic Mass | 347.986 Da |
| Topological Polar Surface Area | 87.800 Ų |
| Heavy Atom Count | 21 |
| Formal Charge | 0 |
| Complexity | 451.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 1 |
| Covalently-Bonded Unit Count | 1 |