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≥97% 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.
| Canonical Smiles | C1CCOC(C1)N2C=C(C(=N2)I)C=O |
|---|---|
| IUPAC Name | 3-iodo-1-(oxan-2-yl)pyrazole-4-carbaldehyde |
| InChIKey | TVGOFLFNBCDVFS-UHFFFAOYSA-N |
| INCHI | 1S/C9H11IN2O2/c10-9-7(6-13)5-12(11-9)8-3-1-2-4-14-8/h5-6,8H,1-4H2 |
| Isomeric SMILES | C1CCOC(C1)N2C=C(C(=N2)I)C=O |
| Alternate CAS | 1627924-19-9 |
| PubChem CID | 90424289 |
| Molecular Weight | 306.1 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organic oxygen compounds |
| Class | Organooxygen compounds |
| Subclass | Carbonyl compounds |
| Intermediate Tree Nodes | Aldehydes |
| Direct Parent | Aryl-aldehydes |
| Alternative Parents | Oxanes Vinylogous halides Vinylogous amides Heteroaromatic compounds Azoles Oxacyclic compounds Hydrazones Azacyclic compounds Organopnictogen compounds Organoiodides Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Aryl-aldehyde - Oxane - Heteroaromatic compound - Vinylogous amide - Vinylogous halide - Azole - Oxacycle - Azacycle - Organoheterocyclic compound - Hydrazone - Organic nitrogen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Organoiodide - Organohalogen compound - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as aryl-aldehydes. These are compounds containing an aldehyde group directly attached to an aromatic ring. |
| External Descriptors | Not available |
| Molecular Weight | 306.100 g/mol |
|---|---|
| XLogP3 | 1.100 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 2 |
| Exact Mass | 305.987 Da |
| Monoisotopic Mass | 305.987 Da |
| Topological Polar Surface Area | 44.100 Ų |
| Heavy Atom Count | 14 |
| Formal Charge | 0 |
| Complexity | 215.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |