AG002WLI

2881-63-2 | Benzenepropanoic acid, 4-chloro-β-oxo-, ethyl ester

AG002WLI

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CAS Number	2881-63-2
Catalog Number	AG002WLI(AGN-PC-0R4K1K)
Chemical Name	Benzenepropanoic acid, 4-chloro-β-oxo-, ethyl ester
IUPAC Name	ethyl 3-(4-chlorophenyl)-3-oxopropanoate
InChI	InChI=1S/C11H11ClO3/c1-2-15-11(14)7-10(13)8-3-5-9(12)6-4-8/h3-6H,2,7H2,1H3
InChI Key	DGCZHKABHPDNCC-UHFFFAOYSA-N
MDL Number	MFCD00018713
Molecular Formula	C11H11ClO3
Molecular Weight	226.6562
NSC Number	406743
SMILES	C(=O)(CC(=O)OCC)c1ccc(cc1)Cl
Synonyms	AC 413, AC-413, AC413 peptide, 2881-63-2, Ethyl 3-(4-chlorophenyl)-3-oxopropanoate, Ethyl 3-(4-chlorophenyl)-3-oxo-propionate, Ethyl (4-chlorobenzoyl)acetate, ethyl 3-(4-Chloro-phenyl)-3-oxopropanoate, 3-(4-Chloro-phenyl)-3-oxo-propionic acid ethyl ester, Benzenepropanoic acid, 4-chloro-beta-oxo-, ethyl ester, NSC 406743, Ethyl 3-Oxo-3-(4-chlorophenyl)propionate, DGCZHKABHPDNCC-UHFFFAOYSA-N, AK-29089, EN300-68992, 3-(4-chlorophenyl)-3-oxo-propionic acid ethyl ester, NSC406743, ACMC-1CIGS, AI3-05833, AC1L2QMG, ethyl chlorobenzoyl acetate, Ehtyl p-chlorobenzoylacetate, ethyl p-chlorobenzoylacetate, AC1Q5E2K, ethyl-4-chlorobenzoylacetate, Ethyl 4-chlorobenzoylacetate, ethyl(4-chloro)benzoylacetate, SCHEMBL276803, Ethyl (4-chloro)benzoylacetate, AC1Q34N8, Jsp005496, CTK4G2148, KS-00001KJC, DTXSID20183001, ALBB-021377, ZINC1599413, ZX-AN036972, 2864AB, AC-413, ANW-59964, ETHYL(4-CHLOROBENZOYL)ACETATE, MFCD00018713, SBB078324, STL185216, AKOS000351168, ACM2881632, CS-W008277, MCULE-7465319900, NE62253, NSC-406743, RP27674, AJ-27944, AN-15890, BC211398, CJ-25706, DS-10979, OR346250, SC-99072, SY050577, Ethyl 3-(4-chlorophenyl)-3-oxopropionate, AB0003294, AX8028273, DB-047463, ethyl 3-(4-chlorophenyl)-3-oxo-propanoate, TC-148709, BB 0218096, E1059, ethyl 3-(4-chloro-phenyl)-3-oxo-propionate, Ethyl 3-(4-chlorophenyl)-3-oxopropanoate #, FT-0634528, ST24046920, MFCD00018713 (98%), 3-(4-Chlorophenyl)-3-oxo-propionicacidethylester, beta-Oxo-4-chlorobenzenepropanoic acid ethyl ester, C-57956, 3-(4-Chlorophenyl)-3-oxopropanoic acid ethyl ester, 3-(4-chlorophenyl)-3-oxopropionic acid ethyl ester, 3-Oxo-3-(4-chlorophenyl)propionic Acid Ethyl Ester, Benzenepropanoic acid,4-chloro-b-oxo-, ethyl ester, I01-9101, J-017281, J-520805, Benzenepropanoic acid, 4-chloro-|A-oxo-, ethyl este, F0871-0804, Z1258943275, C11H11ClO3, C11-H11-Cl-O3, AR-1I8625, CID101336, 3- -3-OXO-PROPIONICACIDETHYLESTER, Ethyl3-(4-chlorophenyl)-3-oxo-propionate, 29683-84-9,

Complexity	232
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	226.04g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	226.656g/mol
Monoisotopic Mass	226.04g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	43.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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