AG000BGE

Name: Ethyl 3-oxo-2-(trifluoromethyl)butanoate
Brand: Angene Chemical
SKU: AG000BGE

116046-53-8 | Ethyl 3-oxo-2-(trifluoromethyl)butanoate

AG000BGE

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CAS Number	116046-53-8
Catalog Number	AG000BGE(AGN-PC-0JSIQM)
Chemical Name	Ethyl 3-oxo-2-(trifluoromethyl)butanoate
IUPAC Name	ethyl 3-oxo-2-(trifluoromethyl)butanoate
InChI	InChI=1S/C7H9F3O3/c1-3-13-6(12)5(4(2)11)7(8,9)10/h5H,3H2,1-2H3
InChI Key	AQRYRSMBPVPPMZ-UHFFFAOYSA-N
MDL Number	MFCD21950389
Molecular Formula	C7H9F3O3
Molecular Weight	198.1398
SMILES	CCOC(C(C(F)(F)F)C(C)=O)=O
Synonyms	Ethyl 3-oxo-2-(trifluoromethyl)butanoate, 116046-53-8, Butanoic acid, 3-oxo-2-(trifluoromethyl)-, ethyl ester, AC1LBHZR, ACMC-20b6ef, SCHEMBL3383070, CTK0G0588, DTXSID40336759, AQRYRSMBPVPPMZ-UHFFFAOYSA-N, ethyl 2-trifluoromethylacetoacetate, MFCD21950389, AKOS018116905, MCULE-5101466265, NE51881, AS-43590, Ethyl 3-oxo-2-(trifluoromethyl)butanoate #, 2-(Trifluoromethyl)acetoacetic acid ethyl ester, 2-Trifluoromethyl-3-oxobutanoic acid, ethyl ester, 3-oxo-2-(trifluoromethyl)-butyric acid ethyl ester, Z1511532056, 860409-51-4, CID536112,

Complexity	210
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	198.05g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	198.141g/mol
Monoisotopic Mass	198.05g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	43.4A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	1.5

CERTIFICATE OF ANALYSIS

Analysis Data:

Test:

Result:

Conclusion: The above product meets the specifications of Angene.

Analyst:Chase

Date:

Reviewed by:Jessie

Date:

Angene International Limited