AG003Q8R

Name: Ethyl 4-(2,2,2-Trifluoroacetyl)benzoate
Brand: Angene Chemical
SKU: AG003Q8R

898787-14-9 | Ethyl 4-(2,2,2-Trifluoroacetyl)benzoate

AG003Q8R

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CAS Number	898787-14-9
Catalog Number	AG003Q8R(AGN-PC-04Q47P)
Chemical Name	Ethyl 4-(2,2,2-Trifluoroacetyl)benzoate
IUPAC Name	ethyl 4-(2,2,2-trifluoroacetyl)benzoate
InChI	InChI=1S/C11H9F3O3/c1-2-17-10(16)8-5-3-7(4-6-8)9(15)11(12,13)14/h3-6H,2H2,1H3
InChI Key	MSPQBVVINOKAFC-UHFFFAOYSA-N
MDL Number	MFCD01319974
Molecular Formula	C11H9F3O3
Molecular Weight	246.1826
SMILES	O=C(OCC)C1=CC=C(C(C(F)(F)F)=O)C=C1
Synonyms	ethyl 4-(2,2,2-trifluoroacetyl)benzoate, 898787-14-9, 4'-Carboethoxy-2,2,2-trifluoroacetophenone, CTK5G6426, KS-00000QXQ, DTXSID80645216, Ethyl 4-(trifluoroacetyl)benzoate, ZINC2378549, 2547AF, MFCD01319974, AKOS016022599, TRA0067505, AK208985, DS-10184, SC-65856, SY025737, FT-0722584, MFCD01319974 (95%), 4-CARBOETHOXY-2,2,2-TRIFLUOROACETOPHENONE, alpha,alpha,alpha-Trifluoro-4'-(ethoxycarbonyl)acetophenone, C11H9F3O3,

Complexity	291
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	246.05g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	246.185g/mol
Monoisotopic Mass	246.05g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	43.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.6

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