AG007PKP

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CAS Number	221121-36-4
Catalog Number	AG007PKP(AGN-PC-0QYR99)
Chemical Name	Benzenebutanoic acid,3-fluoro-b-oxo-, ethyl ester
IUPAC Name	ethyl 4-(3-fluorophenyl)-3-oxobutanoate
InChI	InChI=1S/C12H13FO3/c1-2-16-12(15)8-11(14)7-9-4-3-5-10(13)6-9/h3-6H,2,7-8H2,1H3
InChI Key	WLQMLHGMFCBMLJ-UHFFFAOYSA-N
MDL Number	MFCD03844417
Molecular Formula	C12H13FO3
Molecular Weight	224.2282
SMILES	C(C(CC1=CC=CC(F)=C1)=O)C(OCC)=O
Synonyms	221121-36-4, ethyl 4-(3-fluorophenyl)-3-oxobutanoate, 4-(3-Fluoro-phenyl)-3-oxo-butyric acid ethyl ester, Benzenebutanoic acid,3-fluoro-b-oxo-, ethyl ester, 4-(3-fluorophenyl)-3-oxobutanoic acid ethyl ester, A1-00627, Benzenebutanoic acid, 3-fluoro-beta-oxo-, ethyl ester, SCHEMBL4332278, CTK4E8624, DTXSID90445749, KS-00001KL7, ZINC2518207, ZX-CM001935, MFCD03844417, AKOS010952004, ACM221121364, AJ-37062, SC-58535, F57081, Y-8194, 4-(3-fluorophenyl)-3-oxo-butyric acid ethyl ester, Ethyl (2Z)-4-(3-fluorophenyl)-3-hydroxy-2-butenoate, AldrichCPR, CID10846760, 4- -3-OXO-BUTYRICACIDETHYLESTER, Ethyl 4-(3-fluorophenyl)-3-oxo-butanoate,

Complexity	253
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	224.085g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	224.231g/mol
Monoisotopic Mass	224.085g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	43.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2

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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