Determine the necessary mass, volume, or concentration for preparing a solution.
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Moligand™ Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships 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.
| Sorrisi canonici | CC1=C(C2=CC=CC=C2O1)CC3=CC(=C(C(=C3)I)OCC(=O)O)I |
|---|---|
| IUPAC Name | 2-[2,6-diiodo-4-[(2-methyl-1-benzofuran-3-yl)methyl]phenoxy]acetic acid |
| InChIKey | OLIKCJUMYWSDIV-UHFFFAOYSA-N |
| INCHI | 1S/C18H14I2O4/c1-10-13(12-4-2-3-5-16(12)24-10)6-11-7-14(19)18(15(20)8-11)23-9-17(21)22/h2-5,7-8H,6,9H2,1H3,(H,21,22) |
| Isomeri SMILES | CC1=C(C2=CC=CC=C2O1)CC3=CC(=C(C(=C3)I)OCC(=O)O)I |
| CAS alternativo | 147030-48-6 |
| PubChem CID | 9872203 |
| Termini MeSH | 2-methyl-3-(3,5-diiodo-4-carboxymethoxybenzyl)benzofuran;KB 130015;KB-130015;KB130015 |
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 |
| Classe | Benzene and substituted derivatives |
| Subclass | Phenoxyacetic acid derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenoxyacetic acid derivatives |
| Alternative Parents | Benzofurans Phenoxy compounds Phenol ethers Iodobenzenes Alkyl aryl ethers Aryl iodides Heteroaromatic compounds Furans Oxacyclic compounds Monocarboxylic acids and derivatives Carboxylic acids Organoiodides Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Phenoxyacetate - Benzofuran - Phenoxy compound - Phenol ether - Alkyl aryl ether - Halobenzene - Iodobenzene - Aryl halide - Aryl iodide - Heteroaromatic compound - Furan - Oxacycle - Carboxylic acid derivative - Carboxylic acid - Ether - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Organic oxide - Hydrocarbon derivative - Organic oxygen compound - Organooxygen compound - Organoiodide - Carbonyl group - Organohalogen compound - Aromatic heteropolycyclic compound |
| Descrizione | This compound belongs to the class of organic compounds known as phenoxyacetic acid derivatives. These are compounds containing an anisole where the methane group is linked to an acetic acid or a derivative. |
| External Descriptors | Not available |
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| Peso molecolare | 548.100 g/mol |
|---|---|
| XLogP3 | 5.500 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 5 |
| Exact Mass | 547.898 Da |
| Monoisotopic Mass | 547.898 Da |
| Topological Polar Surface Area | 59.700 Ų |
| Heavy Atom Count | 24 |
| Formal Charge | 0 |
| Complexity | 435.000 |
| 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 |
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