AG00065W

101987-86-4 | Benzenepropanoic acid, 3-chloro-2,4,5-trifluoro-β-oxo-, ethyl ester

AG00065W

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CAS Number	101987-86-4
Catalog Number	AG00065W(AGN-PC-0OR5VJ)
Chemical Name	Benzenepropanoic acid, 3-chloro-2,4,5-trifluoro-β-oxo-, ethyl ester
IUPAC Name	ethyl 3-(3-chloro-2,4,5-trifluorophenyl)-3-oxopropanoate
InChI	InChI=1S/C11H8ClF3O3/c1-2-18-8(17)4-7(16)5-3-6(13)11(15)9(12)10(5)14/h3H,2,4H2,1H3
InChI Key	LZMXLCPYJNRWNQ-UHFFFAOYSA-N
MDL Number	MFCD09037898
Molecular Formula	C11H8ClF3O3
Molecular Weight	280.6276
SMILES	ClC=1C(=C(C=C(C1F)F)C(CC(=O)OCC)=O)F
Synonyms	101987-86-4, Ethyl 3-(3-chloro-2,4,5-trifluorophenyl)-3-oxopropanoate, ETHYL 3-CHLORO-2,4,5-TRIFLUOROBENZOYLACETATE, Ethyl beta-(3-chloro-2,4,5-trifluorophenyl)-beta-oxopropionate, AK-56686, Ethyl 2-(3-chloro-2,4,5-trifluorobenzoyl)acetate, Benzenepropanoic acid,3-chloro-2,4,5-trifluoro-b-oxo-, ethyl ester, ACMC-1BRI6, AMBZ0381, SCHEMBL3190199, CTK4A0525, KS-00000JYE, DTXSID90448957, Ethyl3-(3-chloro-2,4,5-trifluorophenyl)-3-oxopropanoate, LZMXLCPYJNRWNQ-UHFFFAOYSA-N, Ethyl 3-(3-chloro-2,4,5-trifluoro-phenyl)-3-oxo-propanoate, BCP10400, AB2837, ANW-64010, MFCD09037898, ZINC22006763, 3-(3-CHLORO-2,4,5-TRIFLUORO-PHENYL)-3-OXO-PROPIONIC ACID ETHYL ESTER, AKOS005762853, AM85449, QC-1858, RL00101, AC-22721, AJ-80281, AN-16802, DS-15133, SC-43758, AB0085780, AB1004290, AX8027126, DB-001363, TC-152755, 4CH-023993, FT-0697180, ST24046914, Ethyl 3-chloro-2,4,5-tri-fluorobenzoyl acetate, 987E864, J-520862, I14-10642, 3-Chloro-2,4,5-trifluoro-beta-oxo-benzenepropanoic acid ethyl ester, Benzenepropanoic acid, 3-chloro-2,4,5-trifluoro-beta-oxo-, ethyl ester, Ethyl2-(3-chloro-2,4,5-trifluorobenzoyl)acetate; Ethyl3-chloro-2,4,5-trifluorobenzoylacetate, ACN-026544, CID10934859,

Complexity	327
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	280.011g/mol
Formal Charge	0
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	280.627g/mol
Monoisotopic Mass	280.011g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	43.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.9

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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