≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C Ships Wet ice 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.
| ALogP | 2.6 |
|---|
| Canonical Smiles | CCOC(=O)C1=C(NC(=N1)Br)C(F)(F)F |
|---|---|
| InChIKey | VHSMVVWMAHWZER-UHFFFAOYSA-N |
| INCHI | 1S/C7H6BrF3N2O2/c1-2-15-5(14)3-4(7(9,10)11)13-6(8)12-3/h2H2,1H3,(H,12,13) |
| Isomeric SMILES | CCOC(=O)C1=C(NC(=N1)Br)C(F)(F)F |
| PubChem CID | 69423646 |
| Molecular Weight | 287.03 |
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 | Organoheterocyclic compounds |
| Class | Azoles |
| Subclass | Imidazoles |
| Intermediate Tree Nodes | Substituted imidazoles - Trisubstituted imidazoles |
| Direct Parent | 2,4,5-trisubstituted imidazoles |
| Alternative Parents | Carbonylimidazoles Aryl bromides Vinylogous amides Heteroaromatic compounds Carboxylic acid esters Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organofluorides Organobromides Organic oxides Hydrocarbon derivatives Alkyl fluorides |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | 2,4,5-trisubstituted-imidazole - Imidazole-4-carbonyl group - Aryl bromide - Aryl halide - Heteroaromatic compound - Vinylogous amide - Carboxylic acid ester - Carboxylic acid derivative - Azacycle - Organofluoride - Organobromide - Organohalogen compound - Alkyl fluoride - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Alkyl halide - Organonitrogen compound - Organooxygen compound - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as 2,4,5-trisubstituted imidazoles. These are imidazoles in which the imidazole ring is substituted at positions 2, 4, and 5. |
| External Descriptors | Not available |
| Molecular Weight | 287.030 g/mol |
|---|---|
| XLogP3 | 2.600 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 3 |
| Exact Mass | 285.956 Da |
| Monoisotopic Mass | 285.956 Da |
| Topological Polar Surface Area | 55.000 Ų |
| Heavy Atom Count | 15 |
| Formal Charge | 0 |
| Complexity | 249.000 |
| 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 |
