Determine the necessary mass, volume, or concentration for preparing a solution.
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| SKU | Size | Availability |
Price | Qty |
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P730105-100mg
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100mg |
Available within 8-12 weeks(?)
Production requires sourcing of materials. We appreciate your patience and understanding.
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$1,372.90
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| Specifications & Purity | ≥95% |
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Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Pyridines and derivatives |
| Subclass | Pyridinecarboxylic acids and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Pyridinecarboxylic acids |
| Alternative Parents | Polyhalopyridines Alkyl aryl ethers 2-halopyridines Aryl bromides Methyl esters Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Pyridine carboxylic acid - Polyhalopyridine - Alkyl aryl ether - 2-halopyridine - Aryl bromide - Aryl halide - Heteroaromatic compound - Methyl ester - Carboxylic acid ester - Ether - Carboxylic acid derivative - Azacycle - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Organic nitrogen compound - Organic oxide - Organic oxygen compound - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as pyridinecarboxylic acids. These are compounds containing a pyridine ring bearing a carboxylic acid group. |
| External Descriptors | Not available |
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| ALogP | 2.7 |
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| IUPAC Name | methyl 4,6-dibromo-3-methoxypyridine-2-carboxylate |
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| INCHI | InChI=1S/C8H7Br2NO3/c1-13-7-4(9)3-5(10)11-6(7)8(12)14-2/h3H,1-2H3 |
| InChIKey | JVYFGOKHFWBMEF-UHFFFAOYSA-N |
| Smiles | COC1=C(N=C(C=C1Br)Br)C(=O)OC |
| Isomeric SMILES | COC1=C(N=C(C=C1Br)Br)C(=O)OC |
| PubChem CID | 21696615 |
| Molecular Weight | 324.95 |
| Molecular Weight | 324.950 g/mol |
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| XLogP3 | 2.700 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 3 |
| Exact Mass | 324.877 Da |
| Monoisotopic Mass | 322.879 Da |
| Topological Polar Surface Area | 48.400 Ų |
| Heavy Atom Count | 14 |
| Formal Charge | 0 |
| Complexity | 215.000 |
| 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 |