AG003RU2

83643-84-9 | Methyl 4,4,4-trifluoro-3-oxobutanoate

AG003RU2

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CAS Number	83643-84-9
Catalog Number	AG003RU2(AGN-PC-0JSQJ0)
Chemical Name	Methyl 4,4,4-trifluoro-3-oxobutanoate
IUPAC Name	methyl 4,4,4-trifluoro-3-oxobutanoate
InChI	InChI=1S/C5H5F3O3/c1-11-4(10)2-3(9)5(6,7)8/h2H2,1H3
InChI Key	LKMUBWWZTSZGGV-UHFFFAOYSA-N
MDL Number	MFCD00041004
Molecular Formula	C5H5F3O3
Molecular Weight	170.0866
SMILES	O=C(OC)CC(C(F)(F)F)=O
Synonyms	83643-84-9, Methyl 4,4,4-trifluoro-3-oxobutanoate, Methyl 4,4,4-Trifluoroacetoacetate, Methyl trifluoroacetoacetate, 4,4,4-Trifluoroacetoacetic Acid Methyl Ester, 488711-09-7, LKMUBWWZTSZGGV-UHFFFAOYSA-N, MFCD00041004, Methyl-4,4,4-trifluoro-3-oxobutanoate, Butanoic acid, 4,4,4-trifluoro-3-oxo-, methyl ester, ACMC-209psv, AC1LB2MD, methyltri-fluoroacetoacetate, SCHEMBL197340, CHEMBL107187, CTK5F0921, Methyl4,4,4-Trifluoroacetoacetate, KS-000013OE, methyl-4,4,4-trifluoroacetoacetate, ZINC2168480, 0320AF, 6646AB, ANW-37709, BBL101872, SBB088357, STL555669, AKOS005063950, MCULE-2101138923, Methyl 3-oxo-4,4,4-trifluorobutyrate, Methyl 3-oxo-4,4,4-trifluorobutanoate, AJ-33876, BC207970, BP-20096, CJ-33474, Methyl 4,4,4-trifluoro-3-oxobutanoate #, Methyl 4,4,4-trifluoroacetoacetate, 95%, AB1010853, DB-075955, TR-025990, FT-0628596, ST24031056, ST50824958, 4,4,4-trifluoro-3-oxobutanoic acid methyl ester, 4,4,4-Trifluoro-3-oxo-butyric acid methyl ester, A840621, 4,4,4-Trifluoroacetoacetic acid methyl ester, 96%, Butanoic acid,4,4,4-trifluoro-3-oxo-,methyl ester, Butanoic acid,4,4,4-trifluoro-3-oxo-, methyl ester, I14-29378, methyl 4,4,4-tris(fluoranyl)-3-oxidanylidene-butanoate, C5H5F3O3, CID550266, Methyl 4,4,4-trifluoroacetoacetate 1kg, T1245, 4,4,4-Trifluoro-3-oxo-butanoic acid methyl ester, 4,4,4-Trifluoroacetoacetic acid methyl ester, 96% - 25G 25g,

Complexity	172
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	170.019g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	170.087g/mol
Monoisotopic Mass	170.019g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	43.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	3
Hazard statements	H226-H315-H319
Packing Group	Ⅲ
Precautionary statements	P210-P233-P240-P241+P242+P243-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P403+P235-P501
UN Code	UN 3272

Certificate of Analysis

Lot Number