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3-(Hydroxyimino)-7-(trifluoromethyl)indolin-2-one , CAS No.74396-78-4
AVAILABLE TO ORDER
Storage
Room temperature
Shipped In
Normal
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Why this grade
for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Storage & shipping
Room temperature Ships Normal 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
Shipped In
Normal
Names and Identifiers
| Canonical Smiles | C1=CC2=C(C(=C1)C(F)(F)F)NC(=C2N=O)O |
|---|---|
| IUPAC Name | 3-nitroso-7-(trifluoromethyl)-1H-indol-2-ol |
| InChIKey | PCCAUCUZADXBCO-UHFFFAOYSA-N |
| INCHI | 1S/C9H5F3N2O2/c10-9(11,12)5-3-1-2-4-6(5)13-8(15)7(4)14-16/h1-3,13,15H |
| Isomeric SMILES | C1=CC2=C(C(=C1)C(F)(F)F)NC(=C2N=O)O |
| PubChem CID | 135742378 |
| Molecular Weight | 230.15 |
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 | 230.140 g/mol |
|---|---|
| XLogP3 | 2.800 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 0 |
| Exact Mass | 230.03 Da |
| Monoisotopic Mass | 230.03 Da |
| Topological Polar Surface Area | 65.500 Ų |
| Heavy Atom Count | 16 |
| Formal Charge | 0 |
| Complexity | 284.000 |
| 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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