≥95% 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 | CC(C#N)C(CN1C=NC=N1)(C2=C(C=C(C=C2)F)F)O |
|---|---|
| IUPAC Name | (2S,3R)-3-(2,4-difluorophenyl)-3-hydroxy-2-methyl-4-(1,2,4-triazol-1-yl)butanenitrile |
| InChIKey | ZURMGBIMFHVPNC-TVQRCGJNSA-N |
| INCHI | 1S/C13H12F2N4O/c1-9(5-16)13(20,6-19-8-17-7-18-19)11-3-2-10(14)4-12(11)15/h2-4,7-9,20H,6H2,1H3/t9-,13+/m0/s1 |
| Isómeros SMILES | C[C@@H](C#N)[C@](CN1C=NC=N1)(C2=C(C=C(C=C2)F)F)O |
| PubChem CID | 9860445 |
| Peso molecular | 278.26 |
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 | Phenylpropanes |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenylpropanes |
| Alternative Parents | Fluorobenzenes Aryl fluorides Triazoles Tertiary alcohols Heteroaromatic compounds Nitriles Azacyclic compounds Organofluorides Hydrocarbon derivatives Aromatic alcohols |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Phenylpropane - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Azole - Heteroaromatic compound - Tertiary alcohol - 1,2,4-triazole - Azacycle - Carbonitrile - Nitrile - Organoheterocyclic compound - Organofluoride - Organohalogen compound - Organic nitrogen compound - Alcohol - Hydrocarbon derivative - Cyanide - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Aromatic alcohol - Aromatic heteromonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as phenylpropanes. These are organic compounds containing a phenylpropane moiety. |
| External Descriptors | Not available |
| Peso molecular | 278.260 g/mol |
|---|---|
| XLogP3 | 0.900 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 4 |
| Exact Mass | 278.098 Da |
| Monoisotopic Mass | 278.098 Da |
| Topological Polar Surface Area | 74.700 Ų |
| Heavy Atom Count | 20 |
| Formal Charge | 0 |
| Complexity | 388.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 2 |
| 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 |
