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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.
| Canonical Smiles | CC(C)NC(=O)C1C(C1(C)C)C=C(Cl)Cl |
|---|---|
| IUPAC Name | 3-(2,2-dichloroethenyl)-2,2-dimethyl-N-propan-2-ylcyclopropane-1-carboxamide |
| InChIKey | GKDWOFMVXJVTCT-UHFFFAOYSA-N |
| INCHI | 1S/C11H17Cl2NO/c1-6(2)14-10(15)9-7(5-8(12)13)11(9,3)4/h5-7,9H,1-4H3,(H,14,15) |
| Molecular Weight | 250.16 |
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organic acids and derivatives |
| Class | Carboxylic acids and derivatives |
| Subclass | Cyclopropanecarboxylic acids and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Cyclopropanecarboxylic acids and derivatives |
| Alternative Parents | Secondary carboxylic acid amides Ketene acetals Vinyl chlorides Chloroalkenes Organopnictogen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aliphatic homomonocyclic compounds |
| Substituents | Cyclopropanecarboxylic acid or derivatives - Carboxamide group - Ketene acetal or derivatives - Secondary carboxylic acid amide - Chloroalkene - Haloalkene - Vinyl halide - Vinyl chloride - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Carbonyl group - Organic nitrogen compound - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aliphatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as cyclopropanecarboxylic acids and derivatives. These are organic compounds containing a carboxyl group (or a derivative thereof) attached to a cyclopropane ring. |
| External Descriptors | Not available |
| Molecular Weight | 250.160 g/mol |
|---|---|
| XLogP3 | 3.900 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 3 |
| Exact Mass | 249.069 Da |
| Monoisotopic Mass | 249.069 Da |
| Topological Polar Surface Area | 29.100 Ų |
| Heavy Atom Count | 15 |
| Formal Charge | 0 |
| Complexity | 293.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |