≥99% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C,Protected from light,Argon charged Ships Wet ice 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.
| 정식 스마일 | COC1=C(C=C(C(=C1)Br)C(=O)O)O |
|---|---|
| IUPAC Name | 2-bromo-5-hydroxy-4-methoxybenzoic acid |
| InChIKey | QOHWIPQTBHQOQW-UHFFFAOYSA-N |
| INCHI | 1S/C8H7BrO4/c1-13-7-3-5(9)4(8(11)12)2-6(7)10/h2-3,10H,1H3,(H,11,12) |
| 이성체 SMILES | COC1=C(C=C(C(=C1)Br)C(=O)O)O |
| 분자량 | 247.04 |
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 |
| 분류 | 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 Halobenzoic acids Hydroxybenzoic acid derivatives Methoxyphenols Benzoic acids Methoxybenzenes 1-carboxy-2-haloaromatic compounds Benzoyl derivatives Anisoles P-bromophenols Phenoxy compounds Alkyl aryl ethers 1-hydroxy-2-unsubstituted benzenoids Bromobenzenes Aryl bromides Vinylogous halides Organic oxides Hydrocarbon derivatives Organobromides |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | P-methoxybenzoic acid or derivatives - Hydroxybenzoic acid - Methoxyphenol - 2-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - 2-halobenzoic acid - Halobenzoic acid - Benzoic acid - 4-halophenol - Phenoxy compound - Benzoyl - 4-bromophenol - Anisole - Phenol ether - 1-carboxy-2-haloaromatic compound - Methoxybenzene - Halobenzene - 1-hydroxy-2-unsubstituted benzenoid - Bromobenzene - Phenol - Alkyl aryl ether - Aryl bromide - Aryl halide - Vinylogous halide - Ether - Carboxylic acid derivative - Carboxylic acid - Organohalogen compound - Organobromide - Organooxygen compound - Hydrocarbon derivative - Organic oxygen compound - Organic oxide - Aromatic homomonocyclic compound |
| 설명 | 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 |
| 감도 | Light sensitive |
|---|---|
| 분자량 | 247.040 g/mol |
| XLogP3 | 1.800 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 2 |
| Exact Mass | 245.953 Da |
| Monoisotopic Mass | 245.953 Da |
| Topological Polar Surface Area | 66.800 Ų |
| Heavy Atom Count | 13 |
| Formal Charge | 0 |
| Complexity | 197.000 |
| 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 |
