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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, 3-(4-chlorophenyl)-5-methyl-

Clc1ccc(cc1)c1noc(c1C(=O)O)C Request for Quotation
Chemical Name: 4-Isoxazolecarboxylic acid, 3-(4-chlorophenyl)-5-methyl-
CAS Number: 91182-87-5
Product Number: AG006Q74(AGN-PC-0K5Y2B)
Synonyms:
MDL No:
Molecular Formula: C11H8ClNO3
Molecular Weight: 237.6391

Identification/Properties

Properties
MP:
217-218℃(Solv: ethanol (64-17-5))
Form:
Solid
Computed Properties
Molecular Weight:
237.639g/mol
XLogP3:
2.6
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
2
Exact Mass:
237.019g/mol
Monoisotopic Mass:
237.019g/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

GHS Pictogram:
Signal Word:
Warning
UN#:
-
Hazard Statements:
H315-H319-H335
Precautionary Statements:
P264-P302+P352-P304+P340-P305+P351+P338-P332+P313-P337+P313
Class:
-
Packing Group:
-

NMR Spectrum

Other Analytical Data

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Chemical Structure


3-(4-Chlorophenyl)-5-methyl-4-isoxazolecarboxylic acid is a versatile compound commonly employed in chemical synthesis for various applications. It is frequently utilized as a key intermediate in the preparation of pharmaceutical compounds due to its unique structure and reactivity. This compound serves as a valuable building block in the synthesis of diverse organic molecules, particularly in the development of medicinal and agrochemical products. Additionally, 3-(4-Chlorophenyl)-5-methyl-4-isoxazolecarboxylic acid plays a crucial role in the creation of advanced materials and fine chemicals, showcasing its significance in modern synthetic chemistry. Its reactivity and compatibility with a wide range of other compounds make it a valuable tool for researchers and synthetic chemists seeking to access novel molecular structures and functionalities.