≥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 | C1CC2=C(C1CC(=O)O)NC3=C2C=C(C=C3Br)F |
|---|---|
| IUPAC Name | 2-(5-bromo-7-fluoro-1,2,3,4-tetrahydrocyclopenta[b]indol-3-yl)acetic acid |
| InChIKey | UFDLKQSJWWUVOQ-UHFFFAOYSA-N |
| INCHI | 1S/C13H11BrFNO2/c14-10-5-7(15)4-9-8-2-1-6(3-11(17)18)12(8)16-13(9)10/h4-6,16H,1-3H2,(H,17,18) |
| Isomeric SMILES | C1CC2=C(C1CC(=O)O)NC3=C2C=C(C=C3Br)F |
| Alternate CAS | 393509-23-4 |
| PubChem CID | 16109371 |
| Molecular Weight | 312.13 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Indoles and derivatives |
| Subclass | Indolyl carboxylic acids and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Indolyl carboxylic acids and derivatives |
| Alternative Parents | 3-alkylindoles Aryl bromides Aryl fluorides Benzenoids Pyrroles Heteroaromatic compounds Azacyclic compounds Monocarboxylic acids and derivatives Carboxylic acids Hydrocarbon derivatives Carbonyl compounds Organic oxides Organobromides Organofluorides Organonitrogen compounds Organopnictogen compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Indolyl carboxylic acid derivative - 3-alkylindole - Indole - Aryl bromide - Aryl fluoride - Aryl halide - Benzenoid - Heteroaromatic compound - Pyrrole - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Azacycle - Organobromide - Organohalogen compound - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Carbonyl group - Organofluoride - Organonitrogen compound - Organooxygen compound - Organopnictogen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as indolyl carboxylic acids and derivatives. These are compounds containing a carboxylic acid chain (of at least 2 carbon atoms) linked to an indole ring. |
| External Descriptors | Not available |
| Molecular Weight | 312.130 g/mol |
|---|---|
| XLogP3 | 2.800 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 2 |
| Exact Mass | 310.996 Da |
| Monoisotopic Mass | 310.996 Da |
| Topological Polar Surface Area | 53.100 Ų |
| Heavy Atom Count | 18 |
| Formal Charge | 0 |
| Complexity | 354.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| 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-Bromo-7-fluoro-1，2，3，4-tetrahydrocyclopenta[b]indol-3-yl)acetic acid - ≥95% CAS No(393509-23-4) by Aladdin Scientific](https://www.aladdinsci.com/media/catalog/product/cache/207e23213cf636ccdef205098cf3c8a3/A/7/A728656.jpg)