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≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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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 | COC1=C(C=C2C(=C1)C=CN2)Cl |
|---|---|
| IUPAC Name | 6-chloro-5-methoxy-1H-indole |
| InChIKey | SSBPRGFEADRKDA-UHFFFAOYSA-N |
| INCHI | 1S/C9H8ClNO/c1-12-9-4-6-2-3-11-8(6)5-7(9)10/h2-5,11H,1H3 |
| Isómeros SMILES | COC1=C(C=C2C(=C1)C=CN2)Cl |
| CAS alternativo | 63762-72-1 |
| PubChem CID | 13113493 |
| Peso molecular | 181.62 |
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 | Indoles |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Indoles |
| Alternative Parents | Anisoles Alkyl aryl ethers Aryl chlorides Pyrroles Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organochlorides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Indole - Anisole - Phenol ether - Alkyl aryl ether - Aryl chloride - Aryl halide - Benzenoid - Heteroaromatic compound - Pyrrole - Ether - Azacycle - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Hydrocarbon derivative - Organic oxygen compound - Organic nitrogen compound - 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 | 181.620 g/mol |
|---|---|
| XLogP3 | 2.600 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 1 |
| Exact Mass | 181.029 Da |
| Monoisotopic Mass | 181.029 Da |
| Topological Polar Surface Area | 25.000 Ų |
| Heavy Atom Count | 12 |
| Formal Charge | 0 |
| Complexity | 165.000 |
| 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 |