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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 | C1CC1C(=O)C2=CN(N=N2)C3=CC(=C(C=C3)Cl)Cl |
|---|---|
| IUPAC Name | cyclopropyl-[1-(3,4-dichlorophenyl)triazol-4-yl]methanone |
| InChIKey | FFJCMFYCKSGRKX-UHFFFAOYSA-N |
| INCHI | 1S/C12H9Cl2N3O/c13-9-4-3-8(5-10(9)14)17-6-11(15-16-17)12(18)7-1-2-7/h3-7H,1-2H2 |
| Isómeros SMILES | C1CC1C(=O)C2=CN(N=N2)C3=CC(=C(C=C3)Cl)Cl |
| PubChem CID | 1485788 |
| Peso molecular | 282.13 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Clase | Azoles |
| Subclass | Triazoles |
| Intermediate Tree Nodes | Phenyltriazoles |
| Direct Parent | Phenyl-1,2,3-triazoles |
| Alternative Parents | Dichlorobenzenes Aryl alkyl ketones Aryl chlorides Vinylogous amides Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Phenyl-1,2,3-triazole - 1,2-dichlorobenzene - Aryl ketone - Aryl alkyl ketone - Chlorobenzene - Halobenzene - Aryl halide - Benzenoid - Monocyclic benzene moiety - Aryl chloride - Vinylogous amide - Heteroaromatic compound - Ketone - Azacycle - Hydrocarbon derivative - Organochloride - Organohalogen compound - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Aromatic heteromonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as phenyl-1,2,3-triazoles. These are organic compounds containing a 1,2,3-triazole substituted by a phenyl group. |
| External Descriptors | Not available |
| Peso molecular | 282.120 g/mol |
|---|---|
| XLogP3 | 3.100 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 3 |
| Exact Mass | 281.012 Da |
| Monoisotopic Mass | 281.012 Da |
| Topological Polar Surface Area | 47.800 Ų |
| Heavy Atom Count | 18 |
| Formal Charge | 0 |
| Complexity | 337.000 |
| 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 |