≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships 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 | C1CC1N(C(=O)CC#N)C(=O)NC2=C(C=C(C=C2)I)F |
|---|---|
| IUPAC Name | 2-cyano-N-cyclopropyl-N-[(2-fluoro-4-iodophenyl)carbamoyl]acetamide |
| InChIKey | NTVQGIQRXWIFGO-UHFFFAOYSA-N |
| INCHI | 1S/C13H11FIN3O2/c14-10-7-8(15)1-4-11(10)17-13(20)18(9-2-3-9)12(19)5-6-16/h1,4,7,9H,2-3,5H2,(H,17,20) |
| Isómeros SMILES | C1CC1N(C(=O)CC#N)C(=O)NC2=C(C=C(C=C2)I)F |
| PubChem CID | 59717036 |
| Peso molecular | 387.15 |
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 | Benzenoids |
| Clase | Benzene and substituted derivatives |
| Subclass | N-phenylureas |
| Intermediate Tree Nodes | Not available |
| Direct Parent | N-acyl-phenylureas |
| Alternative Parents | N-acyl ureas Iodobenzenes Fluorobenzenes Aryl iodides Aryl fluorides Dicarboximides Nitriles Organopnictogen compounds Organoiodides Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | N-acyl-phenylurea - Fluorobenzene - Ureide - Halobenzene - Iodobenzene - N-acyl urea - Aryl fluoride - Aryl halide - Aryl iodide - Dicarboximide - Urea - Carbonic acid derivative - Carboxylic acid derivative - Carbonitrile - Nitrile - Organofluoride - Organoiodide - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organopnictogen compound - Organic nitrogen compound - Organic oxygen compound - Organohalogen compound - Aromatic homomonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as n-acyl-phenylureas. These are urea derivatives where one nitrogen atom of the urea group is linked to a phenyl group and the other is acylated. |
| External Descriptors | Not available |
| Peso molecular | 387.150 g/mol |
|---|---|
| XLogP3 | 2.600 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 3 |
| Exact Mass | 386.988 Da |
| Monoisotopic Mass | 386.988 Da |
| Topological Polar Surface Area | 73.200 Ų |
| Heavy Atom Count | 20 |
| Formal Charge | 0 |
| Complexity | 446.000 |
| 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 |
