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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 | C1CC(=C(C(=O)C1)C=NC2=CC(=C(C=C2)Cl)Cl)O |
|---|---|
| IUPAC Name | 2-[(3,4-dichlorophenyl)iminomethyl]-3-hydroxycyclohex-2-en-1-one |
| InChIKey | MBUYAYPGDORVJM-UHFFFAOYSA-N |
| INCHI | 1S/C13H11Cl2NO2/c14-10-5-4-8(6-11(10)15)16-7-9-12(17)2-1-3-13(9)18/h4-7,17H,1-3H2 |
| PubChem CID | 135478071 |
| Molecular Weight | 284.14 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →| Molecular Weight | 284.130 g/mol |
|---|---|
| XLogP3 | 3.000 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 2 |
| Exact Mass | 283.017 Da |
| Monoisotopic Mass | 283.017 Da |
| Topological Polar Surface Area | 49.700 Ų |
| Heavy Atom Count | 18 |
| Formal Charge | 0 |
| Complexity | 392.000 |
| 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 |