≥97% 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=C2C=NNC2=CC(=C1OC(F)(F)F)Br |
|---|---|
| IUPAC Name | 6-bromo-5-(trifluoromethoxy)-1H-indazole |
| InChIKey | XWGFFCNWBMBDHZ-UHFFFAOYSA-N |
| INCHI | 1S/C8H4BrF3N2O/c9-5-2-6-4(3-13-14-6)1-7(5)15-8(10,11)12/h1-3H,(H,13,14) |
| Isómeros SMILES | C1=C2C=NNC2=CC(=C1OC(F)(F)F)Br |
| CAS alternativo | 1374651-78-1 |
| PubChem CID | 118798046 |
| Peso molecular | 281.03 |
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 |
| Clase | Benzopyrazoles |
| Subclass | Indazoles |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Indazoles |
| Alternative Parents | Benzenoids Aryl bromides Pyrazoles Heteroaromatic compounds Trihalomethanes Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organofluorides Organobromides Hydrocarbon derivatives Alkyl fluorides |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Indazole - Benzopyrazole - Benzenoid - Aryl halide - Aryl bromide - Heteroaromatic compound - Pyrazole - Azole - Trihalomethane - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Halomethane - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organofluoride - Organobromide - Organohalogen compound - Alkyl halide - Alkyl fluoride - Aromatic heteropolycyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as indazoles. These are compounds containing an indazole, which is structurally characterized by a pyrazole fused to a benzene. |
| External Descriptors | Not available |
| Peso molecular | 281.030 g/mol |
|---|---|
| XLogP3 | 3.400 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 1 |
| Exact Mass | 279.946 Da |
| Monoisotopic Mass | 279.946 Da |
| Topological Polar Surface Area | 37.900 Ų |
| Heavy Atom Count | 15 |
| Formal Charge | 0 |
| Complexity | 238.000 |
| 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 |
