AG0016U4

122135-83-5 | 1-Cyclohexene-1-carboxylic acid, 2-[[(trifluoromethyl)sulfonyl]oxy]-, ethyl ester

AG0016U4

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CAS Number	122135-83-5
Catalog Number	AG0016U4(AGN-PC-0PFXN9)
Chemical Name	1-Cyclohexene-1-carboxylic acid, 2-[[(trifluoromethyl)sulfonyl]oxy]-, ethyl ester
IUPAC Name	ethyl 2-(trifluoromethylsulfonyloxy)cyclohexene-1-carboxylate
InChI	InChI=1S/C10H13F3O5S/c1-2-17-9(14)7-5-3-4-6-8(7)18-19(15,16)10(11,12)13/h2-6H2,1H3
InChI Key	VWIUHGUFSGOXDX-UHFFFAOYSA-N
MDL Number	MFCD00798197
Molecular Formula	C10H13F3O5S
Molecular Weight	302.2674
NSC Number	698179
SMILES	O=C(C1=C(OS(=O)(C(F)(F)F)=O)CCCC1)OCC
Synonyms	122135-83-5, Ethyl 2-(trifluoromethyl sulfonyloxy)-1-cyclohenxene-1-carboxylate, Ethyl 2-(((trifluoromethyl)sulfonyl)oxy)cyclohex-1-enecarboxylate, NSC698179, ethyl 2-(trifluoromethylsulfonyloxy)cyclohex-1-enecarboxylate, ethyl 2-{[(trifluoromethyl)sulfonyl]oxy}cyclohex-1-ene-1-carboxylate, ethyl 2-(trifluoromethyl sulfonyloxy)-1-cyclohexene-1-carboxylate, 2-trifluoromethanesulfonyloxy-cyclohex-1-enecarboxylic acid ethyl ester, ethyl 2-(trifluoromethylsulfonyloxy)cyclohexene-1-carboxylate, ethyl 2-(trifluoromethyl sulfonyloxy) cyclohexene-1-carboxylate, ethyl 2-(trifluoromethylsulfonyloxy)-1-cyclohexene-1-carboxylate, VWIUHGUFSGOXDX-UHFFFAOYSA-N, AC1L98MF, SCHEMBL1743472, CHEMBL1977256, CTK8D1962, DTXSID30327873, AC1Q6467, ACT07855, MFCD00798197, ZINC32098891, AKOS015911220, AC-6510, NSC-698179, AS-38820, CC-27713, NCI60_035125, 2-(ethoxycarbonyl)-1-cyclohexenyl triflate, AB0004882, DB-041651, FT-0642977, X-1822, C-18858, I14-39266, ethyl 2-trifluoromethanesulfonyloxycyclohex-1-enecarboxylate, ethyl 2-trifluoromethanesulfonyloxycyclohexen-1-ylcarboxylate, 2-(Trifluoromesyloxy)-1-cyclohexene-1-carboxylic acid ethyl ester, Ethyl 2-(trifluoromethyl sulfonyloxy)-1-cyclohexene-1carboxylate, ethyl 2-(trifluoromethyl-sulfonyloxy)-1-cyclohexene-1-carboxylate, Ethyl 2-(trifluoromethylsulfonyloxy)-1-cyclohexene -1-carboxylate, Ethyl 2-[(trifluoromethanesulfonyl)oxy]cyclohex-1-ene-1-carboxylate, Ethyl 2-(((trifluoromethyl)sulfonyl)oxy)-1-cyclohexene-1-carboxylate, 1-Cyclohexene-1-carboxylic acid, 2-[[(trifluoromethyl)sulfonyl]oxy]-, ethyl ester, AR-1I8235, CID394599, Ethyl 2-(trifuloromethyl sulfonyloxy)-1-cyclohenxene-1-carboxylate, Ethyl2-(trifluoromethylsulfonyloxy)-1-cyclohenxene-1-carboxylate, 1226-71-7,

Complexity	472
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	302.044g/mol
Formal Charge	0
Heavy Atom Count	19
Hydrogen Bond Acceptor Count	8
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	302.264g/mol
Monoisotopic Mass	302.044g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	78A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H320-H335
Packing Group
Precautionary statements	P264-P270-P301+P312-P330
UN Code

Certificate of Analysis

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