for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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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 | C1CC2=CC=CC=C2C1OC(=O)NCC3=CC(=C(C=C3)Cl)Cl |
|---|---|
| IUPAC Name | [(1S)-2,3-dihydro-1H-inden-1-yl] N-[(3,4-dichlorophenyl)methyl]carbamate |
| InChIKey | CKERQCMQSBFFKX-INIZCTEOSA-N |
| INCHI | 1S/C17H15Cl2NO2/c18-14-7-5-11(9-15(14)19)10-20-17(21)22-16-8-6-12-3-1-2-4-13(12)16/h1-5,7,9,16H,6,8,10H2,(H,20,21)/t16-/m0/s1 |
| Isómeros SMILES | C1CC2=CC=CC=C2[C@H]1OC(=O)NCC3=CC(=C(C=C3)Cl)Cl |
| PubChem CID | 35026245 |
| Peso molecular | 336.22 |
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Clase | Indanes |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Indanes |
| Alternative Parents | Dichlorobenzenes Aryl chlorides Carbamate esters Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic homopolycyclic compounds |
| Substituents | Indane - 1,2-dichlorobenzene - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Carbamic acid ester - Organic nitrogen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organic oxygen compound - Aromatic homopolycyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as indanes. These are compounds containing an indane moiety, which consists of a cyclopentane fused to a benzene ring. |
| External Descriptors | Not available |
| Peso molecular | 336.200 g/mol |
|---|---|
| XLogP3 | 4.600 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 4 |
| Exact Mass | 335.048 Da |
| Monoisotopic Mass | 335.048 Da |
| Topological Polar Surface Area | 38.300 Ų |
| Heavy Atom Count | 22 |
| Formal Charge | 0 |
| Complexity | 393.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 1 |
| 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 |
![[(1S)-2,3-dihydro-1H-inden-1-yl] N-[(3,4-dichlorophenyl)methyl]carbamate - CAS No(582314-48-5) by Aladdin Scientific](https://www.aladdinsci.com/media/catalog/product/cache/207e23213cf636ccdef205098cf3c8a3/S/9/S979686.jpg)