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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 | CCOC(=O)C1=C(N=C2N1C=C(C=C2)Br)C(F)(F)F |
|---|---|
| IUPAC Name | ethyl 6-bromo-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxylate |
| InChIKey | VGBGMJMHDDKHSX-UHFFFAOYSA-N |
| INCHI | 1S/C11H8BrF3N2O2/c1-2-19-10(18)8-9(11(13,14)15)16-7-4-3-6(12)5-17(7)8/h3-5H,2H2,1H3 |
| Isomeric SMILES | CCOC(=O)C1=C(N=C2N1C=C(C=C2)Br)C(F)(F)F |
| PubChem CID | 75365536 |
| Molecular Weight | 337.1 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →| Molecular Weight | 337.090 g/mol |
|---|---|
| XLogP3 | 3.900 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 3 |
| Exact Mass | 335.972 Da |
| Monoisotopic Mass | 335.972 Da |
| Topological Polar Surface Area | 43.600 Ų |
| Heavy Atom Count | 19 |
| Formal Charge | 0 |
| Complexity | 353.000 |
| 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 |