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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.
| Sonrisas canónicas | COC(=O)C1=C2CC(=O)NC2=C(C=C1)F |
|---|---|
| IUPAC Name | methyl 7-fluoro-2-oxo-1,3-dihydroindole-4-carboxylate |
| InChIKey | HFRWFBKQGRXZKX-UHFFFAOYSA-N |
| INCHI | 1S/C10H8FNO3/c1-15-10(14)5-2-3-7(11)9-6(5)4-8(13)12-9/h2-3H,4H2,1H3,(H,12,13) |
| Isómeros SMILES | COC(=O)C1=C2CC(=O)NC2=C(C=C1)F |
| CAS alternativo | 1260776-33-7 |
| PubChem CID | 53419786 |
| Peso molecular | 209.17 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Clase | Indoles and derivatives |
| Subclass | Indolecarboxylic acids and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Indolecarboxylic acids |
| Alternative Parents | 4-halobenzoic acids and derivatives Indolines Aryl fluorides Methyl esters Secondary carboxylic acid amides Lactams Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Indolecarboxylic acid - 4-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Dihydroindole - Aryl fluoride - Aryl halide - Benzenoid - Methyl ester - Carboxamide group - Carboxylic acid ester - Lactam - Secondary carboxylic acid amide - Carboxylic acid derivative - Azacycle - Organonitrogen compound - Organofluoride - Organohalogen compound - Organic oxygen compound - Organic oxide - Organopnictogen compound - Organic nitrogen compound - Organooxygen compound - Carbonyl group - Hydrocarbon derivative - Aromatic heteropolycyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as indolecarboxylic acids. These are compounds containing a carboxylic acid group linked to an indole. |
| External Descriptors | Not available |
| Peso molecular | 209.170 g/mol |
|---|---|
| XLogP3 | 0.700 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 2 |
| Exact Mass | 209.049 Da |
| Monoisotopic Mass | 209.049 Da |
| Topological Polar Surface Area | 55.400 Ų |
| Heavy Atom Count | 15 |
| Formal Charge | 0 |
| Complexity | 294.000 |
| 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 |