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Brc1cnc(nc1)C
Pyrimidine, 5-bromo-2-methyl-
CCCP1(=O)OP(=O)(CCC)OP(=O)(O1)CCC
1,3,5,2,4,6-Trioxatriphosphorinane, 2,4,6-tripropyl-, 2,4,6-trioxide
CC1(C)OB(OC1(C)C)B1OC(C(O1)(C)C)(C)C
2,2'-Bi-1,3,2-dioxaborolane, 4,4,4',4',5,5,5',5'-octamethyl-
O=C(C=Cc1ccccc1)C=Cc1ccccc1.O=C(C=Cc1ccccc1)C=Cc1ccccc1.O=C(C=Cc1ccccc1)C=Cc1ccccc1.[Pd].[Pd]
Tris(dibenzylideneacetone)dipalladium
C1CCC(CC1)P(C1CCCCC1)C1CCCCC1.Cc1cc(C)c(c(c1)C)N1CCN(C1=[Ru](=Cc1ccccc1)(Cl)Cl)c1c(C)cc(cc1C)C
Ruthenium,[1,3-bis(2,4,6-trimethylphenyl)-2-imidazolidinylidene]dichloro(phenylmethylene)(tricyclohexylphosphine)-, (SP-5-41)-

4-Isoxazolecarboxylic acid, 5-(4-bromophenyl)-3-methyl-

Brc1ccc(cc1)c1onc(c1C(=O)O)C Request for Quotation
Chemical Name: 4-Isoxazolecarboxylic acid, 5-(4-bromophenyl)-3-methyl-
CAS Number: 91182-60-4
Product Number: AG00IGIS(AGN-PC-0BEPCD)
Synonyms:
MDL No:
Molecular Formula: C11H8BrNO3
Molecular Weight: 282.0901

Identification/Properties

Computed Properties
Molecular Weight:
282.093g/mol
XLogP3:
2.6
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
2
Exact Mass:
280.969g/mol
Monoisotopic Mass:
280.969g/mol
Topological Polar Surface Area:
63.3A^2
Heavy Atom Count:
16
Formal Charge:
0
Complexity:
266
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information

NMR Spectrum

Other Analytical Data

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Chemical Structure


The 5-(4-Bromophenyl)-3-methylisoxazole-4-carboxylic acid is a valuable compound commonly used in chemical synthesis for its versatile applications. It serves as a key building block in the creation of various organic molecules due to its unique molecular structure and reactivity. This compound is particularly utilized in the synthesis of pharmaceuticals, agrochemicals, and materials science.In chemical synthesis, 5-(4-Bromophenyl)-3-methylisoxazole-4-carboxylic acid can function as a precursor in the formation of more complex molecules through different reactions such as esterification, amidation, or substitution reactions. Its presence allows for the introduction of the 4-bromophenyl and methylisoxazole groups into the desired target compounds, offering control over the final molecular structure and properties. This compound's incorporation can lead to the development of new drugs, advanced materials, or specialized chemicals with tailored functionalities.Moreover, the strategic placement of the bromophenyl and methylisoxazole moieties in the synthesized compounds can influence their biological activity, physical properties, or reactivity, making this acid a valuable tool in the design and production of molecular entities for various purposes in the field of chemistry.