≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships 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.
| Canonical Smiles | CCOP(=O)(C)C(C1=CSC2=C1C=C(C=C2)Cl)C(=O)O |
|---|---|
| IUPAC Name | 2-(5-chloro-1-benzothiophen-3-yl)-2-[ethoxy(methyl)phosphoryl]acetic acid |
| InChIKey | XQUUWINBTHXKLR-UHFFFAOYSA-N |
| INCHI | 1S/C13H14ClO4PS/c1-3-18-19(2,17)12(13(15)16)10-7-20-11-5-4-8(14)6-9(10)11/h4-7,12H,3H2,1-2H3,(H,15,16) |
| Isomeric SMILES | CCOP(=O)(C)C(C1=CSC2=C1C=C(C=C2)Cl)C(=O)O |
| PubChem CID | 59365551 |
| Molecular Weight | 332.74 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Benzothiophenes |
| Subclass | 1-benzothiophenes |
| Intermediate Tree Nodes | Not available |
| Direct Parent | 1-benzothiophenes |
| Alternative Parents | Benzenoids Aryl chlorides Thiophenes Heteroaromatic compounds Phosphinic acid esters Monocarboxylic acids and derivatives Carboxylic acids Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | 1-benzothiophene - Aryl chloride - Aryl halide - Benzenoid - Heteroaromatic compound - Thiophene - Phosphinic acid ester - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organochloride - Organohalogen compound - Organic oxide - Organic oxygen compound - Carbonyl group - Organooxygen compound - Organophosphorus compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as 1-benzothiophenes. These are aromatic heterocyclic compound containing the Benzo[b]thiophene ring system. |
| External Descriptors | Not available |
| Molecular Weight | 332.740 g/mol |
|---|---|
| XLogP3 | 2.700 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 5 |
| Exact Mass | 332.004 Da |
| Monoisotopic Mass | 332.004 Da |
| Topological Polar Surface Area | 91.800 Ų |
| Heavy Atom Count | 20 |
| Formal Charge | 0 |
| Complexity | 419.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
![2-(5-Chlorobenzo[b]thiophen-3-yl)-2-(ethoxy(methyl)phosphoryl)acetic acid - ≥95% CAS No(1224709-42-5) by Aladdin Scientific](https://www.aladdinsci.com/media/catalog/product/cache/207e23213cf636ccdef205098cf3c8a3/C/9/C972458.jpg)