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GRADE & PURITY ≥95%
Storage
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| Sonrisas canónicas | CC(C)C1=NN(C(=C1)Cl)C |
|---|---|
| IUPAC Name | 5-chloro-1-methyl-3-propan-2-ylpyrazole |
| InChIKey | XUXTVZZVQCDOKQ-UHFFFAOYSA-N |
| INCHI | 1S/C7H11ClN2/c1-5(2)6-4-7(8)10(3)9-6/h4-5H,1-3H3 |
| Peso molecular | 158.63 |
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organohalogen compounds |
| Clase | Aryl halides |
| Subclass | Aryl chlorides |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Aryl chlorides |
| Alternative Parents | Pyrazoles Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organochlorides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Aryl chloride - Heteroaromatic compound - Pyrazole - Azole - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organochloride - Aromatic heteromonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as aryl chlorides. These are organic compounds containing the acyl chloride functional group. |
| External Descriptors | Not available |
| Peso molecular | 158.630 g/mol |
|---|---|
| XLogP3 | 2.400 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 1 |
| Exact Mass | 158.061 Da |
| Monoisotopic Mass | 158.061 Da |
| Topological Polar Surface Area | 17.800 Ų |
| Heavy Atom Count | 10 |
| Formal Charge | 0 |
| Complexity | 116.000 |
| 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 |