| Sonrisas canónicas | C1=CNC2=C(C=C(C=C21)F)C=O |
|---|---|
| IUPAC Name | 5-fluoro-1H-indole-7-carbaldehyde |
| InChIKey | ACKRNKKYYJVPEP-UHFFFAOYSA-N |
| INCHI | 1S/C9H6FNO/c10-8-3-6-1-2-11-9(6)7(4-8)5-12/h1-5,11H |
| Isómeros SMILES | C1=CNC2=C(C=C(C=C21)F)C=O |
| PubChem CID | 17985670 |
| Peso molecular | 163.15 |
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 | Indoles |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Indoles |
| Alternative Parents | Aryl-aldehydes Benzenoids Aryl fluorides Vinylogous amides Pyrroles Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Indole - Aryl-aldehyde - Aryl fluoride - Aryl halide - Benzenoid - Pyrrole - Heteroaromatic compound - Vinylogous amide - Azacycle - Hydrocarbon derivative - Aldehyde - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as indoles. These are compounds containing an indole moiety, which consists of pyrrole ring fused to benzene to form 2,3-benzopyrrole. |
| External Descriptors | Not available |
| Peso molecular | 163.150 g/mol |
|---|---|
| XLogP3 | 1.600 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 1 |
| Exact Mass | 163.043 Da |
| Monoisotopic Mass | 163.043 Da |
| Topological Polar Surface Area | 32.900 Ų |
| Heavy Atom Count | 12 |
| Formal Charge | 0 |
| Complexity | 185.000 |
| 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 |
