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3,4-Dimethoxy-4'-fluorochalcone - ≥95% , CAS No.28081-14-3
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GRADE & PURITY ≥95%
Storage
Room temperature
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Why this grade
≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Storage & shipping
Room temperature Ships Check lot-specific COA for exact specifications.
Quality documents
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Literature proof
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Specifications
Specifications & Purity
≥95%
Storage
Room temperature
Purity
≥95%
Names and Identifiers
| Canonical Smiles | COC1=C(C=C(C=C1)C=CC(=O)C2=CC=C(C=C2)F)OC |
|---|---|
| IUPAC Name | (E)-3-(3,4-dimethoxyphenyl)-1-(4-fluorophenyl)prop-2-en-1-one |
| InChIKey | MWFPOMHEKFNGLA-YCRREMRBSA-N |
| INCHI | 1S/C17H15FO3/c1-20-16-10-4-12(11-17(16)21-2)3-9-15(19)13-5-7-14(18)8-6-13/h3-11H,1-2H3/b9-3+ |
| Isomeric SMILES | COC1=C(C=C(C=C1)/C=C/C(=O)C2=CC=C(C=C2)F)OC |
| PubChem CID | 5702608 |
| Molecular Weight | 286.3 |
Documentation
📋 Safety Data Sheet (SDS)
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →✅ Certificate of Analysis (COA)
Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →🔬 Specification Sheet
Full quality attributes and acceptance criteria for this grade.
View spec sheet →Advanced Data
3D Structure
Interactive Chemical Structure Model
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Chemical and Physical Properties
| Melt Point(°C) | 92-94 |
|---|---|
| Molecular Weight | 286.300 g/mol |
| XLogP3 | 3.700 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 5 |
| Exact Mass | 286.101 Da |
| Monoisotopic Mass | 286.101 Da |
| Topological Polar Surface Area | 35.500 Ų |
| Heavy Atom Count | 21 |
| Formal Charge | 0 |
| Complexity | 361.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 1 |
| Covalently-Bonded Unit Count | 1 |
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