≥98% 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.
| Sonrisas canónicas | C1=CC=C2C(=C1)C(=CN2)C3=NC(=NC=C3C(F)(F)F)Cl |
|---|---|
| IUPAC Name | 3-[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]-1H-indole |
| InChIKey | AEJKDFWQIPYIEV-UHFFFAOYSA-N |
| INCHI | 1S/C13H7ClF3N3/c14-12-19-6-9(13(15,16)17)11(20-12)8-5-18-10-4-2-1-3-7(8)10/h1-6,18H |
| Isómeros SMILES | C1=CC=C2C(=C1)C(=CN2)C3=NC(=NC=C3C(F)(F)F)Cl |
| PubChem CID | 86661575 |
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 |
| Clase | Indoles and derivatives |
| Subclass | Indoles |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Indoles |
| Alternative Parents | 2-halopyrimidines Substituted pyrroles Benzenoids Aryl chlorides Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organofluorides Organochlorides Hydrocarbon derivatives Alkyl fluorides |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Indole - 2-halopyrimidine - Halopyrimidine - Aryl chloride - Aryl halide - Benzenoid - Substituted pyrrole - Pyrimidine - Heteroaromatic compound - Pyrrole - Azacycle - Organochloride - Organohalogen compound - Organonitrogen compound - Alkyl fluoride - Hydrocarbon derivative - Organic nitrogen compound - Alkyl halide - Organofluoride - Aromatic heteropolycyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as indoles. These are compounds containing an indole moiety, which consists of pyrrole ring fused to benzene to form 2,3-benzopyrrole. |
| External Descriptors | Not available |
| Peso molecular | 297.660 g/mol |
|---|---|
| XLogP3 | 3.800 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 1 |
| Exact Mass | 297.028 Da |
| Monoisotopic Mass | 297.028 Da |
| Topological Polar Surface Area | 41.600 Ų |
| Heavy Atom Count | 20 |
| Formal Charge | 0 |
| Complexity | 352.000 |
| 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 |
