≥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.
| Sonrisas canónicas | COC1=C(C=C(C(=C1)C(=O)O)[N+](=O)[O-])F |
|---|---|
| IUPAC Name | 4-fluoro-5-methoxy-2-nitrobenzoic acid |
| InChIKey | MGLFJUZFMICSSW-UHFFFAOYSA-N |
| INCHI | 1S/C8H6FNO5/c1-15-7-2-4(8(11)12)6(10(13)14)3-5(7)9/h2-3H,1H3,(H,11,12) |
| Isómeros SMILES | COC1=C(C=C(C(=C1)C(=O)O)[N+](=O)[O-])F |
| Peso molecular | 215.1 |
| Reaxy-Rn | 28028654 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=28028654&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 | Benzene and substituted derivatives |
| Subclass | Benzoic acids and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Nitrobenzoic acids and derivatives |
| Alternative Parents | M-methoxybenzoic acids and derivatives Nitrophenyl ethers 4-halobenzoic acids Halobenzoic acids Benzoic acids Methoxyanilines Anisoles Phenoxy compounds Benzoyl derivatives Methoxybenzenes Nitroaromatic compounds Fluorobenzenes Alkyl aryl ethers Aryl fluorides Carboxylic acids Propargyl-type 1,3-dipolar organic compounds Monocarboxylic acids and derivatives Organic oxoazanium compounds Organofluorides Organonitrogen compounds Hydrocarbon derivatives Organopnictogen compounds Organic oxides |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Nitrobenzoate - Nitrophenyl ether - M-methoxybenzoic acid or derivatives - 4-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Halobenzoic acid - 4-halobenzoic acid - Benzoic acid - Nitrobenzene - Methoxyaniline - Anisole - Phenoxy compound - Nitroaromatic compound - Benzoyl - Methoxybenzene - Phenol ether - Alkyl aryl ether - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Organic nitro compound - C-nitro compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organic oxoazanium - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Carboxylic acid - Ether - Organooxygen compound - Organic nitrogen compound - Organic oxide - Organopnictogen compound - Organic oxygen compound - Hydrocarbon derivative - Organohalogen compound - Organofluoride - Organonitrogen compound - Aromatic homomonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as nitrobenzoic acids and derivatives. These are compounds containing a nitrobenzoic acid moiety, which consists of a benzene ring bearing both a carboxylic acid group and a nitro group on two different ring carbon atoms. |
| External Descriptors | Not available |
| Peso molecular | 215.130 g/mol |
|---|---|
| XLogP3 | 1.300 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 2 |
| Exact Mass | 215.023 Da |
| Monoisotopic Mass | 215.023 Da |
| Topological Polar Surface Area | 92.400 Ų |
| Heavy Atom Count | 15 |
| Formal Charge | 0 |
| Complexity | 266.000 |
| 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 |
