AG00891W

887267-53-0 | ETHYL 2,5-DIFLUOROBENZOYLACETATE

AG00891W

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CAS Number	887267-53-0
Catalog Number	AG00891W(AGN-PC-0VNJT2)
Chemical Name	ETHYL 2,5-DIFLUOROBENZOYLACETATE
IUPAC Name	ethyl 3-(2,5-difluorophenyl)-3-oxopropanoate
InChI	InChI=1S/C11H10F2O3/c1-2-16-11(15)6-10(14)8-5-7(12)3-4-9(8)13/h3-5H,2,6H2,1H3
InChI Key	FLBIFWLBLQKDAE-UHFFFAOYSA-N
MDL Number	MFCD07783808
Molecular Formula	C11H10F2O3
Molecular Weight	228.1921
SMILES	CCOC(=O)CC(=O)C1=C(F)C=CC(F)=C1
Synonyms	Ethyl 3-(2,5-difluorophenyl)-3-oxopropanoate, 887267-53-0, ETHYL 2,5-DIFLUOROBENZOYLACETATE, AK111399, 3-(2,5-Difluoro-phenyl)-3-oxo-propionic acid ethyl ester, SCHEMBL2461202, CTK5G1266, DTXSID30543551, KS-00000G5V, ZX-AP010639, 4567AC, MFCD07783808, SBB064543, ZINC16158268, AKOS009259505, DS-5213, AJ-68509, SC-23082, AX8128087, DB-078143, FT-0651755, Ethyl 3-(2,5-Difluorophenyl)-3-oxopropionate, I01-5089, I01-9110, Benzenepropanoic acid,2,5-difluoro-b-oxo-,ethyl ester, C11H10F2O3, Ethyl3-(2,5-difluorophenyl)-3-oxopropanoate,

Complexity	268
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	228.06g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	228.195g/mol
Monoisotopic Mass	228.06g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	43.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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