≥95% 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=CC=C2C(=C1)C=CC=C2CN3C4=C(C=C(C=C4)F)C(=C3C(=O)O)CC(=O)O |
|---|---|
| IUPAC Name | 3-(carboxymethyl)-5-fluoro-1-(naphthalen-1-ylmethyl)indole-2-carboxylic acid |
| InChIKey | AASYYGYJPZBFKC-UHFFFAOYSA-N |
| INCHI | 1S/C22H16FNO4/c23-15-8-9-19-17(10-15)18(11-20(25)26)21(22(27)28)24(19)12-14-6-3-5-13-4-1-2-7-16(13)14/h1-10H,11-12H2,(H,25,26)(H,27,28) |
| Isómeros SMILES | C1=CC=C2C(=C1)C=CC=C2CN3C4=C(C=C(C=C4)F)C(=C3C(=O)O)CC(=O)O |
| PubChem CID | 23582810 |
| Peso molecular | 377.37 |
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 | Indoles and derivatives |
| Subclass | Indolyl carboxylic acids and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Indole-3-acetic acid derivatives |
| Alternative Parents | Indolecarboxylic acids and derivatives 3-alkylindoles Naphthalenes N-alkylindoles Pyrrole 2-carboxylic acids Substituted pyrroles Aryl fluorides Heteroaromatic compounds Azacyclic compounds Carboxylic acids Monocarboxylic acids and derivatives Organofluorides Carbonyl compounds Organic oxides Hydrocarbon derivatives Organonitrogen compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Indole-3-acetic acid derivative - Indolecarboxylic acid derivative - N-alkylindole - 3-alkylindole - Naphthalene - Indole - Pyrrole-2-carboxylic acid or derivatives - Pyrrole-2-carboxylic acid - Aryl fluoride - Aryl halide - Benzenoid - Substituted pyrrole - Heteroaromatic compound - Pyrrole - Carboxylic acid derivative - Carboxylic acid - Azacycle - Monocarboxylic acid or derivatives - Carbonyl group - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Organooxygen compound - Organohalogen compound - Organofluoride - Organonitrogen compound - Aromatic heteropolycyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as indole-3-acetic acid derivatives. These are compounds containing an acetic acid (or a derivative) linked to the C3 carbon atom of an indole. |
| External Descriptors | Not available |
| Peso molecular | 377.400 g/mol |
|---|---|
| XLogP3 | 4.300 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 5 |
| Exact Mass | 377.106 Da |
| Monoisotopic Mass | 377.106 Da |
| Topological Polar Surface Area | 79.500 Ų |
| Heavy Atom Count | 28 |
| Formal Charge | 0 |
| Complexity | 599.000 |
| 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 |
