≥90% 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.
| Sonrisas canónicas | COC(=O)C(CC1=CN=C(S1)Cl)(C2=CC=CC=C2[N+](=O)[O-])C(=O)OC |
|---|---|
| IUPAC Name | dimethyl 2-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-(2-nitrophenyl)propanedioate |
| InChIKey | LSFNAWQHIJTFHC-UHFFFAOYSA-N |
| INCHI | 1S/C15H13ClN2O6S/c1-23-12(19)15(13(20)24-2,7-9-8-17-14(16)25-9)10-5-3-4-6-11(10)18(21)22/h3-6,8H,7H2,1-2H3 |
| Isómeros SMILES | COC(=O)C(CC1=CN=C(S1)Cl)(C2=CC=CC=C2[N+](=O)[O-])C(=O)OC |
| PubChem CID | 3720136 |
| Peso molecular | 384.79 |
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 | Benzenoids |
| Clase | Benzene and substituted derivatives |
| Subclass | Nitrobenzenes |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Nitrobenzenes |
| Alternative Parents | Nitroaromatic compounds 2,5-disubstituted thiazoles Fatty acid esters Aryl chlorides Dicarboxylic acids and derivatives Heteroaromatic compounds Methyl esters Organic oxoazanium compounds Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organonitrogen compounds Hydrocarbon derivatives Organic salts Organochlorides Carbonyl compounds Organic oxides Organic cations |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Nitrobenzene - Nitroaromatic compound - 2,5-disubstituted 1,3-thiazole - Fatty acid ester - Aryl chloride - Aryl halide - Dicarboxylic acid or derivatives - Fatty acyl - Heteroaromatic compound - Azole - Thiazole - Methyl ester - Organic nitro compound - Carboxylic acid ester - C-nitro compound - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Organic oxide - Organic salt - Organic oxygen compound - Organic nitrogen compound - Organohalogen compound - Carbonyl group - Organochloride - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic cation - Aromatic heteromonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as nitrobenzenes. These are compounds containing a nitrobenzene moiety, which consists of a benzene ring with a carbon bearing a nitro group. |
| External Descriptors | Not available |
| Peso molecular | 384.800 g/mol |
|---|---|
| XLogP3 | 3.500 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 7 |
| Exact Mass | 384.018 Da |
| Monoisotopic Mass | 384.018 Da |
| Topological Polar Surface Area | 140.000 Ų |
| Heavy Atom Count | 25 |
| Formal Charge | 0 |
| Complexity | 513.000 |
| 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 |
![Dimethyl 2-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-(2-nitrophenyl)malonate - ≥90% , CAS No.860786-11-4](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)