AG003PZB

33167-21-4 | Ethyl (3-chlorobenzoyl)acetate

AG003PZB

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CAS Number	33167-21-4
Catalog Number	AG003PZB(AGN-PC-0R8NIX)
Chemical Name	Ethyl (3-chlorobenzoyl)acetate
IUPAC Name	ethyl 3-(3-chlorophenyl)-3-oxopropanoate
InChI	InChI=1S/C11H11ClO3/c1-2-15-11(14)7-10(13)8-4-3-5-9(12)6-8/h3-6H,2,7H2,1H3
InChI Key	WWFYJJHEBDWEJF-UHFFFAOYSA-N
MDL Number	MFCD03424810
Molecular Formula	C11H11ClO3
Molecular Weight	226.6562
SMILES	CCOC(=O)CC(=O)C1=CC(Cl)=CC=C1
Synonyms	33167-21-4, Ethyl (3-chlorobenzoyl)acetate, ethyl 3-(3-chlorophenyl)-3-oxopropanoate, Ethyl 3-(3-chlorophenyl)-3-oxo-propanoate, 3-(3-Chloro-phenyl)-3-oxo-propionic acid ethyl ester, Benzenepropanoic acid, 3-chloro-beta-oxo-, ethyl ester, ACMC-20aghr, AC1MBWRR, SCHEMBL1167517, CTK4H0072, KS-00001KJU, DTXSID30374044, Ethyl 2-(3-chlorobenzoyl)acetate, WWFYJJHEBDWEJF-UHFFFAOYSA-N, ALBB-020938, ZINC2575910, 3801AB, AB2835, ANW-72301, BBL004592, MFCD03424810, SBB078325, STL131873, AKOS000265665, AC-7798, AN-8614, MCULE-7868643947, NE29094, Ethyl (3-chlorobenzoyl)acetate, >=97%, AJ-42447, AS-44661, BC208583, SY079907, ethyl 3-(3-chlorophenyl)-3-oxopropionate, AB0085779, DB-068768, TC-161046, FT-0647064, MFCD03424810 (95%), 3-Chloro-|A-oxobenzenepropanoic acid ethyl ester, 167C214, 3-(3-chlorophenyl)-3-oxopropanoic acid ethyl ester, 3-(3-chlorophenyl)-3-oxopropionic acid ethyl ester, Benzenepropanoic acid,3-chloro-b-oxo-, ethyl ester, I01-9103, J-019053, Z1507564183, C11H11ClO3, ZINC02575910, CID2757831, Ethyl 3-(3-Chloro-phenyl)-3-oxopropanoate,

Complexity	240
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	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

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