AG00IARM

60868-41-9 | Benzenepropanoic acid, 2,4-dichloro-b-oxo-, ethyl ester

AG00IARM

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CAS Number	60868-41-9
Catalog Number	AG00IARM(AGN-PC-0SXZFU)
Chemical Name	Benzenepropanoic acid, 2,4-dichloro-b-oxo-, ethyl ester
IUPAC Name	ethyl 3-(2,4-dichlorophenyl)-3-oxopropanoate
InChI	InChI=1S/C11H10Cl2O3/c1-2-16-11(15)6-10(14)8-4-3-7(12)5-9(8)13/h3-5H,2,6H2,1H3
InChI Key	QJVFFNRCSJWXPE-UHFFFAOYSA-N
MDL Number	MFCD03424829
Molecular Formula	C11H10Cl2O3
Molecular Weight	261.1013
SMILES	O=C(OCC)CC(C1=CC=C(Cl)C=C1Cl)=O
Synonyms	Ethyl 3-(2,4-dichlorophenyl)-3-oxopropanoate, 60868-41-9, 3-(2,4-Dichloro-phenyl)-3-oxo-propionic acid ethyl ester, QJVFFNRCSJWXPE-UHFFFAOYSA-N, AK-84442, 3-(2,4-dichlorophenyl)-3-oxo-propionic acid ethyl ester, PubChem16789, AC1LBTN3, SCHEMBL953973, CTK5B2377, DTXSID60337344, BCP21761, Ethyl (2,4-dichlorobenzoyl)acetate, KS-00000N9Q, ZINC2575927, AM1096, ANW-46037, ethyl 2-chloro-p-chlorobenzoylacetate, MFCD03424829, AKOS009260437, Ethyl (2',4'-dichlorobenzoyl)acetate, ACN-025919, AC-17253, AC-26809, AJ-42460, CJ-10087, DS-17432, AB0025795, AB1008007, AX8079172, DB-072867, ST2419324, TC-134782, 4CH-015344, CS-0058998, FT-0698676, W7325, ethyl 3-(2,4-dichlorophenyl)-3-oxopropionate, M-9072, 2-(2,4-Dichlorobenzoyl)acetic acid ethyl ester, A832931, Ethyl 3-(2,4-dichlorophenyl)-3-oxopropanoate #, I01-9107, Benzenepropanoic acid,2,4-dichloro-b-oxo-,ethyl ester, 2,4-dichloro-beta-oxo-benzenepropanoic acid ethyl ester, 3-(2,4-dichlorophenyl)-3-oxopropanoic acid ethyl ester, Benzenepropanoic acid, 2,4-dichloro-b-oxo-, ethyl ester, ethyl 3-(2,4-dichlorophenyl)-3-oxidanylidene-propanoate, Benzenepropanoic acid, 2,4-dichloro-beta-oxo-, ethyl ester, Propanoic acid-3-oxo, 3-(2,4-dichlorophenyl)-, ethyl ester, null, C11H10Cl2O3, CID542007, ZINC02575927,

Complexity	268
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	260.001g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	261.098g/mol
Monoisotopic Mass	260.001g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	43.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.2

GHS Hazard and Precautionary Statements

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

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