| Sonrisas canónicas | CC1(CNC2=C1C=C(C=C2)Cl)C |
|---|---|
| IUPAC Name | 5-chloro-3,3-dimethyl-1,2-dihydroindole |
| InChIKey | OTLDGWKRGSUXLP-UHFFFAOYSA-N |
| INCHI | 1S/C10H12ClN/c1-10(2)6-12-9-4-3-7(11)5-8(9)10/h3-5,12H,6H2,1-2H3 |
| Isómeros SMILES | CC1(CNC2=C1C=C(C=C2)Cl)C |
| PubChem CID | 21836174 |
| Peso molecular | 181.66 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Clase | Indoles and derivatives |
| Subclass | Indolines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Indolines |
| Alternative Parents | Secondary alkylarylamines Aralkylamines Benzenoids Aryl chlorides Azacyclic compounds Organochlorides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Dihydroindole - Aralkylamine - Secondary aliphatic/aromatic amine - Benzenoid - Aryl halide - Aryl chloride - Azacycle - Secondary amine - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organochloride - Organohalogen compound - Amine - Aromatic heteropolycyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as indolines. These are compounds containing an indole moiety, which consists of pyrrolidine ring fused to benzene to form 2,3-dihydroindole. |
| External Descriptors | Not available |
| Peso molecular | 181.660 g/mol |
|---|---|
| XLogP3 | 3.400 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 0 |
| Exact Mass | 181.066 Da |
| Monoisotopic Mass | 181.066 Da |
| Topological Polar Surface Area | 12.000 Ų |
| Heavy Atom Count | 12 |
| Formal Charge | 0 |
| Complexity | 179.000 |
| 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 |
