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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 | C1=CC(=CC(=C1)C(F)(F)F)CN2C(=O)C(=O)N(C2=O)CC(=O)N |
|---|---|
| IUPAC Name | 2-[2,4,5-trioxo-3-[[3-(trifluoromethyl)phenyl]methyl]imidazolidin-1-yl]acetamide |
| InChIKey | ZQDZTRYYBJNMDJ-UHFFFAOYSA-N |
| INCHI | 1S/C13H10F3N3O4/c14-13(15,16)8-3-1-2-7(4-8)5-18-10(21)11(22)19(12(18)23)6-9(17)20/h1-4H,5-6H2,(H2,17,20) |
| Peso molecular | 329.23 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Clase | Azolidines |
| Subclass | Imidazolidines |
| Intermediate Tree Nodes | Imidazolidinones - Imidazolidinediones |
| Direct Parent | Hydantoins |
| Alternative Parents | Trifluoromethylbenzenes Alpha amino acids and derivatives N-acyl ureas Dicarboximides Primary carboxylic acid amides Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Hydantoin - Alpha-amino acid or derivatives - Trifluoromethylbenzene - N-acyl urea - Ureide - Monocyclic benzene moiety - Benzenoid - Dicarboximide - Carboxamide group - Carbonic acid derivative - Primary carboxylic acid amide - Urea - Carboxylic acid derivative - Azacycle - Organonitrogen compound - Organofluoride - Organohalogen compound - Alkyl halide - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Alkyl fluoride - Carbonyl group - Organic oxygen compound - Organooxygen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as hydantoins. These are heterocyclic compounds containing an imidazolidine substituted by ketone group at positions 2 and 4. |
| External Descriptors | Not available |
| Peso molecular | 329.230 g/mol |
|---|---|
| XLogP3 | 0.800 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 4 |
| Exact Mass | 329.062 Da |
| Monoisotopic Mass | 329.062 Da |
| Topological Polar Surface Area | 101.000 Ų |
| Heavy Atom Count | 23 |
| Formal Charge | 0 |
| Complexity | 549.000 |
| 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 |