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2-(((4-(Trifluoromethoxy)phenyl)amino)methylene)indane-1,3-dione , CAS No.946386-79-4
AVAILABLE TO ORDER
Storage
Room temperature
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Why this grade
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
Storage
Room temperature
Names and Identifiers
| Canonical Smiles | C1=CC=C2C(=C1)C(=C(C2=O)C=NC3=CC=C(C=C3)OC(F)(F)F)O |
|---|---|
| IUPAC Name | 3-hydroxy-2-[[4-(trifluoromethoxy)phenyl]iminomethyl]inden-1-one |
| InChIKey | MMKIVJYKYPACND-UHFFFAOYSA-N |
| INCHI | 1S/C17H10F3NO3/c18-17(19,20)24-11-7-5-10(6-8-11)21-9-14-15(22)12-3-1-2-4-13(12)16(14)23/h1-9,22H |
| Isomeric SMILES | C1=CC=C2C(=C1)C(=C(C2=O)C=NC3=CC=C(C=C3)OC(F)(F)F)O |
| Alternate CAS | 946386-79-4 |
| PubChem CID | 135507129 |
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
| Molecular Weight | 333.260 g/mol |
|---|---|
| XLogP3 | 4.000 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 3 |
| Exact Mass | 333.061 Da |
| Monoisotopic Mass | 333.061 Da |
| Topological Polar Surface Area | 58.900 Ų |
| Heavy Atom Count | 24 |
| Formal Charge | 0 |
| Complexity | 548.000 |
| 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 |
Solution Calculators
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