≥97%(HPLC) for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Normal 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.
| Pubchem Sid | 488200988 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488200988 |
| Canonical Smiles | C1=CC(=CC=C1C=CC(=O)NC2=C(C=C(C=C2)C3=NC4=C(O3)C=CC(=C4)CC(=O)O)F)Br |
| IUPAC Name | 2-[2-[4-[[(E)-3-(4-bromophenyl)prop-2-enoyl]amino]-3-fluorophenyl]-1,3-benzoxazol-5-yl]acetic acid |
| InChIKey | LKBXWNYXDMSFQU-ONNFQVAWSA-N |
| INCHI | 1S/C24H16BrFN2O4/c25-17-6-1-14(2-7-17)4-10-22(29)27-19-8-5-16(13-18(19)26)24-28-20-11-15(12-23(30)31)3-9-21(20)32-24/h1-11,13H,12H2,(H,27,29)(H,30,31)/b10-4+ |
| Isomeric SMILES | C1=CC(=CC=C1/C=C/C(=O)NC2=C(C=C(C=C2)C3=NC4=C(O3)C=CC(=C4)CC(=O)O)F)Br |
| Molecular Weight | 495.3 |
| Reaxy-Rn | 33255773 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=33255773&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 | Phenylpropanoids and polyketides |
| Class | Cinnamic acids and derivatives |
| Subclass | Cinnamic acid amides |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Cinnamic acid amides |
| Alternative Parents | Phenyl-1,3-oxazoles Anilides Benzoxazoles Styrenes N-arylamides Fluorobenzenes Bromobenzenes Aryl bromides Aryl fluorides Heteroaromatic compounds Secondary carboxylic acid amides Oxacyclic compounds Monocarboxylic acids and derivatives Azacyclic compounds Carboxylic acids Carbonyl compounds Hydrocarbon derivatives Organic oxides Organobromides Organofluorides |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Cinnamic acid amide - Phenyl-1,3-oxazole - Anilide - Benzoxazole - Styrene - N-arylamide - Bromobenzene - Fluorobenzene - Halobenzene - Monocyclic benzene moiety - Aryl halide - Aryl fluoride - Benzenoid - Aryl bromide - Oxazole - Heteroaromatic compound - Azole - Carboxamide group - Secondary carboxylic acid amide - Oxacycle - Monocarboxylic acid or derivatives - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Carboxylic acid - Organofluoride - Organic nitrogen compound - Carbonyl group - Organooxygen compound - Organonitrogen compound - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organobromide - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as cinnamic acid amides. These are amides of cinnamic acids. Cinnamic acid is an aromatic compound containing a benzene and a carboxylic acid group forming 3-phenylprop-2-enoic acid. |
| 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 |
|---|---|---|---|
 F23051076 | Certificate of Analysis | Mar 13, 2026 | O288697 |
| F23051084 | Certificate of Analysis | Mar 13, 2026 | O288697 |
| F23051119 | Certificate of Analysis | Mar 13, 2026 | O288697 |
| F23051121 | Certificate of Analysis | Mar 13, 2026 | O288697 |
| F23051125 | Certificate of Analysis | Mar 13, 2026 | O288697 |
| F23051126 | Certificate of Analysis | Mar 13, 2026 | O288697 |
| F23051132 | Certificate of Analysis | Mar 13, 2026 | O288697 |
| F23051133 | Certificate of Analysis | Mar 13, 2026 | O288697 |
| F23051134 | Certificate of Analysis | Mar 13, 2026 | O288697 |
| F23051135 | Certificate of Analysis | Mar 13, 2026 | O288697 |
| F23051136 | Certificate of Analysis | Mar 13, 2026 | O288697 |
| F23051137 | Certificate of Analysis | Mar 13, 2026 | O288697 |
| I2523098 | Certificate of Analysis | Apr 17, 2023 | O288697 |
| Solubility | Solvent:DMSO, Max Conc. mg/mL: 4.95, Max Conc. mM: 10 |
|---|---|
| Molecular Weight | 495.300 g/mol |
| XLogP3 | 4.900 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 6 |
| Exact Mass | 494.028 Da |
| Monoisotopic Mass | 494.028 Da |
| Topological Polar Surface Area | 92.400 Ų |
| Heavy Atom Count | 32 |
| Formal Charge | 0 |
| Complexity | 699.000 |
| 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 |
