≥98%(HPLC) for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Protected from light,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 | C1COCCN1CCNC2=NN=C(O2)C3=C(C(=C(C=C3)F)F)NC4=C(C=C(C=C4)I)F |
|---|---|
| IUPAC Name | 5-[3,4-difluoro-2-(2-fluoro-4-iodoanilino)phenyl]-N-(2-morpholin-4-ylethyl)-1,3,4-oxadiazol-2-amine |
| InChIKey | LZZYEMSEMRUPIM-UHFFFAOYSA-N |
| INCHI | 1S/C20H19F3IN5O2/c21-14-3-2-13(18(17(14)23)26-16-4-1-12(24)11-15(16)22)19-27-28-20(31-19)25-5-6-29-7-9-30-10-8-29/h1-4,11,26H,5-10H2,(H,25,28) |
| Isomeric SMILES | C1COCCN1CCNC2=NN=C(O2)C3=C(C(=C(C=C3)F)F)NC4=C(C=C(C=C4)I)F |
| PubChem CID | 5287529 |
| Molecular Weight | 545.3 |
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 |
| Class | Benzene and substituted derivatives |
| Subclass | Aniline and substituted anilines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Aniline and substituted anilines |
| Alternative Parents | Secondary alkylarylamines Fluorobenzenes Iodobenzenes Aryl fluorides Aryl iodides Morpholines 1,3,4-oxadiazoles Heteroaromatic compounds Trialkylamines Oxacyclic compounds Azacyclic compounds Dialkyl ethers Organopnictogen compounds Organoiodides Organofluorides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Aniline or substituted anilines - Fluorobenzene - Halobenzene - Iodobenzene - Secondary aliphatic/aromatic amine - Aryl fluoride - Aryl halide - Aryl iodide - Oxazinane - Morpholine - 1,3,4-oxadiazole - Heteroaromatic compound - Azole - Oxadiazole - Tertiary aliphatic amine - Tertiary amine - Oxacycle - Dialkyl ether - Ether - Azacycle - Organoheterocyclic compound - Secondary amine - Organopnictogen compound - Organic oxygen compound - Amine - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organohalogen compound - Organofluoride - Organoiodide - Organonitrogen compound - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as aniline and substituted anilines. These are organic compounds containing an aminobenzene moiety. |
| External Descriptors | organofluorine compound - organoiodine compound - morpholines - 1,3,4-oxadiazole |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 G2422205 | Certificate of Analysis | Apr 09, 2024 | P288537 |
| G2422206 | Certificate of Analysis | Apr 09, 2024 | P288537 |
| G2422207 | Certificate of Analysis | Apr 09, 2024 | P288537 |
| G2422208 | Certificate of Analysis | Apr 09, 2024 | P288537 |
| G2422209 | Certificate of Analysis | Apr 09, 2024 | P288537 |
| G2422210 | Certificate of Analysis | Apr 09, 2024 | P288537 |
| G2422211 | Certificate of Analysis | Apr 09, 2024 | P288537 |
| G2422212 | Certificate of Analysis | Apr 09, 2024 | P288537 |
| G2422213 | Certificate of Analysis | Apr 09, 2024 | P288537 |
| G2422214 | Certificate of Analysis | Apr 09, 2024 | P288537 |
| G2422215 | Certificate of Analysis | Apr 09, 2024 | P288537 |
| G2422216 | Certificate of Analysis | Apr 09, 2024 | P288537 |
| Solubility | Solvent:DMSO, Max Conc. mg/mL: 54.53, Max Conc. mM: 100; Solvent:ethanol, Max Conc. mg/mL: 5.45, Max Conc. mM: 10 |
|---|---|
| Sensitivity | Light sensitive |
| Molecular Weight | 545.300 g/mol |
| XLogP3 | 3.900 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 10 |
| Rotatable Bond Count | 7 |
| Exact Mass | 545.054 Da |
| Monoisotopic Mass | 545.054 Da |
| Topological Polar Surface Area | 75.500 Ų |
| Heavy Atom Count | 31 |
| Formal Charge | 0 |
| Complexity | 565.000 |
| 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 |
