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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)-

Benzenepropanoic acid, b-oxo-3-(trifluoromethyl)-, methyl ester

COC(=O)CC(=O)c1cccc(c1)C(F)(F)F Request for Quotation
Chemical Name: Benzenepropanoic acid, b-oxo-3-(trifluoromethyl)-, methyl ester
CAS Number: 93618-66-7
Product Number: AG0061XD(AGN-PC-0W37ME)
Synonyms:
MDL No:
Molecular Formula: C11H9F3O3
Molecular Weight: 246.1826

Identification/Properties

Computed Properties
Molecular Weight:
246.185g/mol
XLogP3:
2.5
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
6
Rotatable Bond Count:
4
Exact Mass:
246.05g/mol
Monoisotopic Mass:
246.05g/mol
Topological Polar Surface Area:
43.4A^2
Heavy Atom Count:
17
Formal Charge:
0
Complexity:
299
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


Methyl 3-oxo-3-(3-(trifluoromethyl)phenyl)propanoate, also known as $name$, is a versatile chemical reagent widely used in organic synthesis. This compound serves as a key building block in the creation of various complex molecules due to its unique structural properties.One of the primary applications of Methyl 3-oxo-3-(3-(trifluoromethyl)phenyl)propanoate in chemical synthesis is as a precursor in the formation of pharmaceutical intermediates. Its trifluoromethyl group imparts desirable properties to the final compounds, enhancing their biological activity and metabolic stability. Additionally, the keto functionality of this compound can undergo various chemical transformations, allowing for the introduction of diverse functional groups and facilitating the synthesis of structurally diverse molecules.Furthermore, Methyl 3-oxo-3-(3-(trifluoromethyl)phenyl)propanoate is employed in the preparation of fine chemicals, agrochemicals, and materials with advanced properties. Its presence in the synthetic toolbox of chemists enables the construction of molecular scaffolds with tailored characteristics, making it a valuable asset in the realm of chemical research and development.