≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Temperatura ambiente 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.
| Sonrisas canónicas | C1CC2=CC(=C(C=C2C(=O)C1)F)C(=O)O |
|---|---|
| IUPAC Name | 3-fluoro-5-oxo-7,8-dihydro-6H-naphthalene-2-carboxylic acid |
| InChIKey | RBNZZVKHQPYOGE-UHFFFAOYSA-N |
| INCHI | 1S/C11H9FO3/c12-9-5-7-6(2-1-3-10(7)13)4-8(9)11(14)15/h4-5H,1-3H2,(H,14,15) |
| Isómeros SMILES | C1CC2=CC(=C(C=C2C(=O)C1)F)C(=O)O |
| Peso molecular | 208.19 |
| Reaxy-Rn | 23073547 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=23073547&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Clase | Naphthalenes |
| Subclass | Naphthalenecarboxylic acids and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Naphthalenecarboxylic acids |
| Alternative Parents | Tetralins Halobenzoic acids 2-halobenzoic acids Aryl alkyl ketones 1-carboxy-2-haloaromatic compounds Aryl fluorides Vinylogous halides Organofluorides Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homopolycyclic compounds |
| Substituents | 2-naphthalenecarboxylic acid - Tetralin - 2-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - 2-halobenzoic acid - Halobenzoic acid - 1-carboxy-2-haloaromatic compound - Aryl alkyl ketone - Aryl ketone - Aryl fluoride - Aryl halide - Vinylogous halide - Ketone - Carboxylic acid - Carboxylic acid derivative - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organofluoride - Organohalogen compound - Organic oxygen compound - Aromatic homopolycyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as naphthalenecarboxylic acids. These are compounds containing a naphthalene moiety, which bears a carboxylic acid group one or more positions. Naphthalene is a bicyclic compound that is made up of two fused benzene ring. |
| External Descriptors | Not available |
| Peso molecular | 208.180 g/mol |
|---|---|
| XLogP3 | 1.600 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 1 |
| Exact Mass | 208.054 Da |
| Monoisotopic Mass | 208.054 Da |
| Topological Polar Surface Area | 54.400 Ų |
| Heavy Atom Count | 15 |
| Formal Charge | 0 |
| Complexity | 290.000 |
| 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 |
