≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C Ships Wet ice 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(C1=CC2=C(C=C1)NC(=C2)C(=O)O)(F)F)OCC |
|---|---|
| IUPAC Name | 5-[diethoxyphosphoryl(difluoro)methyl]-1H-indole-2-carboxylic acid |
| InChIKey | FQWGVMDJMIXQPV-UHFFFAOYSA-N |
| INCHI | 1S/C14H16F2NO5P/c1-3-21-23(20,22-4-2)14(15,16)10-5-6-11-9(7-10)8-12(17-11)13(18)19/h5-8,17H,3-4H2,1-2H3,(H,18,19) |
| Isomeric SMILES | CCOP(=O)(C(C1=CC2=C(C=C1)NC(=C2)C(=O)O)(F)F)OCC |
| PubChem CID | 88872810 |
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 |
| Class | Indoles and derivatives |
| Subclass | Indolecarboxylic acids and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Indolecarboxylic acids and derivatives |
| Alternative Parents | Indoles Pyrrole 2-carboxylic acids Dialkyl alkylphosphonates Substituted pyrroles Phosphonic acid esters Benzenoids Heteroaromatic compounds Azacyclic compounds Carboxylic acids Hydrocarbon derivatives Organic oxides Organofluorides Organonitrogen compounds Organooxygen compounds Organophosphorus compounds Alkyl fluorides |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Indolecarboxylic acid derivative - Indole - Pyrrole-2-carboxylic acid - Pyrrole-2-carboxylic acid or derivatives - Dialkyl alkylphosphonate - Phosphonic acid diester - Benzenoid - Substituted pyrrole - Phosphonic acid ester - Heteroaromatic compound - Pyrrole - Organophosphonic acid derivative - Azacycle - Carboxylic acid derivative - Carboxylic acid - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organofluoride - Organophosphorus compound - Organohalogen compound - Organic oxygen compound - Organic nitrogen compound - Alkyl fluoride - Organic oxide - Alkyl halide - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as indolecarboxylic acids and derivatives. These are compounds containing a carboxylic acid group (or a derivative thereof) linked to an indole. |
| External Descriptors | Not available |
| Molecular Weight | 347.250 g/mol |
|---|---|
| XLogP3 | 2.400 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 7 |
| Exact Mass | 347.073 Da |
| Monoisotopic Mass | 347.073 Da |
| Topological Polar Surface Area | 88.600 Ų |
| Heavy Atom Count | 23 |
| Formal Charge | 0 |
| Complexity | 480.000 |
| 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 |
![5-[diethoxyphosphoryl(difluoro)methyl]-1H-indole-2-carboxylic acid - ≥97% CAS No(1233086-50-4) by Aladdin Scientific](https://www.aladdinsci.com/media/catalog/product/cache/207e23213cf636ccdef205098cf3c8a3/H/6/H677847.jpg)