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≥97% 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.
| Canonical Smiles | CN1C2=C(CNCC2)C3=C1C=CC(=C3)F |
|---|---|
| IUPAC Name | 8-fluoro-5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indole |
| InChIKey | ITSCINOQOBTTPE-UHFFFAOYSA-N |
| INCHI | 1S/C12H13FN2/c1-15-11-3-2-8(13)6-9(11)10-7-14-5-4-12(10)15/h2-3,6,14H,4-5,7H2,1H3 |
| Isomeric SMILES | CN1C2=C(CNCC2)C3=C1C=CC(=C3)F |
| PubChem CID | 42883072 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Indoles and derivatives |
| Subclass | N-alkylindoles |
| Intermediate Tree Nodes | Not available |
| Direct Parent | N-alkylindoles |
| Alternative Parents | 3-alkylindoles Aralkylamines N-methylpyrroles Benzenoids Aryl fluorides Heteroaromatic compounds Dialkylamines Azacyclic compounds Organofluorides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | N-alkylindole - 3-alkylindole - Indole - Aralkylamine - Aryl fluoride - Benzenoid - Aryl halide - Substituted pyrrole - N-methylpyrrole - Heteroaromatic compound - Pyrrole - Azacycle - Secondary aliphatic amine - Secondary amine - Amine - Organic nitrogen compound - Hydrocarbon derivative - Organohalogen compound - Organofluoride - Organonitrogen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as n-alkylindoles. These are compounds containing an indole moiety that carries an alkyl chain at the 1-position. |
| External Descriptors | Not available |
| Molecular Weight | 204.240 g/mol |
|---|---|
| XLogP3 | 1.500 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 0 |
| Exact Mass | 204.106 Da |
| Monoisotopic Mass | 204.106 Da |
| Topological Polar Surface Area | 17.000 Ų |
| Heavy Atom Count | 15 |
| Formal Charge | 0 |
| Complexity | 246.000 |
| 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 |