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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)-

3-(5-ethyl-1,2,4-oxadiazol-3-yl)benzoic acid

CCc1onc(n1)c1cccc(c1)C(=O)O Request for Quotation
Chemical Name: 3-(5-ethyl-1,2,4-oxadiazol-3-yl)benzoic acid
CAS Number: 859155-81-0
Product Number: AG003I5L(AGN-PC-04H69B)
Synonyms:
MDL No: MFCD08061016
Molecular Formula: C11H10N2O3
Molecular Weight: 218.2087

Identification/Properties

Properties
BP:
431.8°C at 760 mmHg
Storage:
2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
218.212g/mol
XLogP3:
2.2
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
3
Exact Mass:
218.069g/mol
Monoisotopic Mass:
218.069g/mol
Topological Polar Surface Area:
76.2A^2
Heavy Atom Count:
16
Formal Charge:
0
Complexity:
260
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:
H302-H315-H319-H335
Precautionary Statements:
P261-P280-P301+P312-P302+P352-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum

Other Analytical Data

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Chemical Structure


3-(5-Ethyl-1,2,4-oxadiazol-3-yl)benzoic acid, also known as $name$, is a versatile compound that finds wide applications in chemical synthesis. This compound is commonly utilized as a building block in the synthesis of various pharmaceuticals, agrochemicals, and advanced materials.In chemical synthesis, 3-(5-Ethyl-1,2,4-oxadiazol-3-yl)benzoic acid serves as a key intermediate in the preparation of diverse functional molecules. Its unique molecular structure containing an oxadiazole ring and a benzoic acid moiety imparts valuable properties that are crucial for the development of new compounds. By leveraging its structural features, chemists can introduce specific functionalities or modifications to the target molecules, thus enabling the creation of novel chemicals with desired properties.Furthermore, the presence of the oxadiazole ring in 3-(5-Ethyl-1,2,4-oxadiazol-3-yl)benzoic acid enhances its reactivity and stability, making it a valuable substrate in organic synthesis. Chemists often employ this compound as a key starting material for the synthesis of more complex molecules through various chemical transformations, such as coupling reactions, cyclizations, and functional group manipulations.Overall, the application of 3-(5-Ethyl-1,2,4-oxadiazol-3-yl)benzoic acid in chemical synthesis showcases its significance as a versatile building block in the development of innovative compounds with potential applications in pharmaceuticals, agrochemicals, and materials science.