Determine the necessary mass, volume, or concentration for preparing a solution.
≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Normal Check lot-specific COA for exact specifications.
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 | COC1=CC2=C(CCCC2=O)C(=C1)F |
|---|---|
| IUPAC Name | 5-fluoro-7-methoxy-3,4-dihydro-2H-naphthalen-1-one |
| InChIKey | PZESXOJHITYOCC-UHFFFAOYSA-N |
| INCHI | 1S/C11H11FO2/c1-14-7-5-9-8(10(12)6-7)3-2-4-11(9)13/h5-6H,2-4H2,1H3 |
| Isomeric SMILES | COC1=CC2=C(CCCC2=O)C(=C1)F |
| PubChem CID | 62732213 |
| Molecular Weight | 194.2 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Tetralins |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Tetralins |
| Alternative Parents | Aryl alkyl ketones Anisoles Alkyl aryl ethers Aryl fluorides Organofluorides Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homopolycyclic compounds |
| Substituents | Tetralin - Anisole - Phenol ether - Aryl alkyl ketone - Aryl ketone - Alkyl aryl ether - Aryl fluoride - Aryl halide - Ketone - Ether - Organofluoride - Organohalogen compound - Organic oxide - Organic oxygen compound - Organooxygen compound - Hydrocarbon derivative - Aromatic homopolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as tetralins. These are polycyclic aromatic compounds containing a tetralin moiety, which consists of a benzene fused to a cyclohexane. |
| External Descriptors | Not available |
| Molecular Weight | 194.200 g/mol |
|---|---|
| XLogP3 | 2.100 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 1 |
| Exact Mass | 194.074 Da |
| Monoisotopic Mass | 194.074 Da |
| Topological Polar Surface Area | 26.300 Ų |
| Heavy Atom Count | 14 |
| Formal Charge | 0 |
| Complexity | 229.000 |
| 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 |