≥96% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Conservar a 2-8°C,Desecado Ships Hielo húmedo 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)F)C(=O)O)Br |
|---|---|
| IUPAC Name | 5-bromo-2-fluoro-4-methoxybenzoic acid |
| InChIKey | DSLNYARFEZMGKA-UHFFFAOYSA-N |
| INCHI | 1S/C8H6BrFO3/c1-13-7-3-6(10)4(8(11)12)2-5(7)9/h2-3H,1H3,(H,11,12) |
| Isómeros SMILES | COC1=C(C=C(C(=C1)F)C(=O)O)Br |
| PubChem CID | 24809659 |
| Peso molecular | 249.03 |
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 | Methoxybenzoic acids and derivatives |
| Direct Parent | P-methoxybenzoic acids and derivatives |
| Alternative Parents | 2-halobenzoic acids 3-halobenzoic acids Halobenzoic acids Benzoic acids 1-carboxy-2-haloaromatic compounds Phenoxy compounds Anisoles Benzoyl derivatives Methoxybenzenes Bromobenzenes Alkyl aryl ethers Fluorobenzenes Aryl fluorides Aryl bromides Vinylogous halides Organofluorides Organobromides Hydrocarbon derivatives Organic oxides |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | P-methoxybenzoic acid or derivatives - Halobenzoic acid - 3-halobenzoic acid - 2-halobenzoic acid - Halobenzoic acid or derivatives - 3-halobenzoic acid or derivatives - 2-halobenzoic acid or derivatives - Benzoic acid - Phenoxy compound - Anisole - Benzoyl - Methoxybenzene - 1-carboxy-2-haloaromatic compound - Phenol ether - Alkyl aryl ether - Bromobenzene - Fluorobenzene - Halobenzene - Aryl bromide - Aryl halide - Aryl fluoride - Vinylogous halide - Ether - Carboxylic acid - Carboxylic acid derivative - Organohalogen compound - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Organobromide - Organofluoride - Organooxygen compound - Aromatic homomonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as p-methoxybenzoic acids and derivatives. These are benzoic acids in which the hydrogen atom at position 4 of the benzene ring is replaced by a methoxy group. |
| External Descriptors | Not available |
| Peso molecular | 249.030 g/mol |
|---|---|
| XLogP3 | 2.200 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 2 |
| Exact Mass | 247.948 Da |
| Monoisotopic Mass | 247.948 Da |
| Topological Polar Surface Area | 46.500 Ų |
| Heavy Atom Count | 13 |
| Formal Charge | 0 |
| Complexity | 200.000 |
| 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 |
