AG003PZY

84028-88-6 | Ethyl (S)-2-(trifluoromethylsulfonyloxy)propionate

AG003PZY

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CAS Number	84028-88-6
Catalog Number	AG003PZY(AGN-PC-0OIYC2)
Chemical Name	Ethyl (S)-2-(trifluoromethylsulfonyloxy)propionate
IUPAC Name	ethyl (2S)-2-(trifluoromethylsulfonyloxy)propanoate
InChI	InChI=1S/C6H9F3O5S/c1-3-13-5(10)4(2)14-15(11,12)6(7,8)9/h4H,3H2,1-2H3/t4-/m0/s1
InChI Key	RYSBPHXTNVWICH-BYPYZUCNSA-N
MDL Number	MFCD00134396
Molecular Formula	C6H9F3O5S
Molecular Weight	250.1929
SMILES	C[C@H](OS(=O)(C(F)(F)F)=O)C(OCC)=O
Synonyms	84028-88-6, Ethyl (S)-2-(trifluoromethylsulfonyloxy)propionate, Ethyl O-trifluoromethanesulfonyl-L-lactate, (S)-ethyl 2-(((trifluoromethyl)sulfonyl)oxy)propanoate, SCHEMBL701746, Ethyl L-lactate 2-O-triflate, CTK3D0928, DTXSID10458790, RYSBPHXTNVWICH-BYPYZUCNSA-N, MFCD00134396, ZINC85911477, TC-166961, FT-0641935, ethyl 2(S)-trifluoromethanesulphonyloxypropionate, (s)-ethyl 2-(trifluoromethylsulfonyloxy)propanoate, Ethyl(S)-2-(trifluoromethylsulfonyloxy)propionate, ethyl (S)-2-[(trifluoromethylsulfonyl)oxy]-propionate, I14-54194, Ethyl (S)-2-(trifluoromethylsulfonyloxy)propionate, 96%, (S)-2-trifluoromethanesulfonyloxy-propionic acid ethyl ester, Ethyl (S)-2-(trifluoromethylsulfonyloxy)propionate, >=96%, (S)-2-(Trifluoromethylsulfonyloxy)propionic acid ethyl ester, Propanoic acid, 2-[[(trifluoromethyl)sulfonyl]oxy]-, ethyl ester, (2S)-, Ethyl (S)-2-(trifluoromethylsulfonyloxy)propionate, purum, >=97.0% (19F-NMR), ETHYL -2- PROPIONATE, CID11207429, Ethyl 2-(trifluoromethylsulfonyloxy)propanoate,

Complexity	315
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	250.012g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	8
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	250.188g/mol
Monoisotopic Mass	250.012g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	78A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	8
Hazard statements	H314
Packing Group	Ⅲ
Precautionary statements	P260-P280-P303+P361+P353-P304+P340+P310-P305+P351+P338
UN Code	UN 3265

Certificate of Analysis

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