AG005LWA

79128-68-0 | 3-(2,2,2-Trifluoro-acetylamino)-thiophene-2-carboxylicacidmethylester

AG005LWA

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CAS Number	79128-68-0
Catalog Number	AG005LWA(AGN-PC-0KLE2L)
Chemical Name	3-(2,2,2-Trifluoro-acetylamino)-thiophene-2-carboxylicacidmethylester
IUPAC Name	methyl 3-[(2,2,2-trifluoroacetyl)amino]thiophene-2-carboxylate
InChI	InChI=1S/C8H6F3NO3S/c1-15-6(13)5-4(2-3-16-5)12-7(14)8(9,10)11/h2-3H,1H3,(H,12,14)
InChI Key	CJNCTQZMIQZVQQ-UHFFFAOYSA-N
MDL Number	MFCD00103374
Molecular Formula	C8H6F3NO3S
Molecular Weight	253.1983
SMILES	O=C(C1=C(NC(C(F)(F)F)=O)C=CS1)OC
Synonyms	79128-68-0, Methyl 3-(2,2,2-trifluoroacetamido)thiophene-2-carboxylate, 3-(2,2,2-Trifluoro-acetylamino)-thiophene-2-carboxylic acid methyl ester, methyl 3-[(trifluoroacetyl)amino]thiophene-2-carboxylate, 2-Thiophenecarboxylic acid, 3-[(trifluoroacetyl)amino]-, methyl ester, 3-(2,2,2-Trifluoroacetylamino)thiophene-2-carboxylic acid methyl ester, AC1MD3KQ, Maybridge1_003131, C8H6F3NO3S, KSC646I7B, SCHEMBL612157, CTK5E6470, HMS550G07, DTXSID20384450, CJNCTQZMIQZVQQ-UHFFFAOYSA-N, ZINC140675, KS-00000PT8, ANW-45916, MFCD00103374, STK426380, AKOS000281662, CCG-243472, MCULE-5743067565, QC-5903, RP29024, AJ-12416, AK-86729, CJ-01055, DS-18217, AB0026746, TC-134661, CS-0030396, ST24025261, ST50915896, W8482, Z-8726, J-510457, methyl 3-(trifluoroacetylamino)-2-thiophenecarboxylate, Methyl 3-[(trifluoroacetyl)amino]-2-thiophenecarboxylate, methyl 3-(2,2,2-trifluoroacetylamino)thiophene-2-carboxylate, 3-(2,2,2-trifluoracetamido)thiophene-2-carboxylic acid methyl ester, methyl 3-[(2,2,2-trifluoroacetyl)amino]thiophene-2-carboxylate, 3-[(2,2,2-Trifluoroacetyl)amino]-2-thiophenecarboxylic acid methyl ester, AldrichCPR, 2-Fluoro-5-methyl-n-phenyl-aniline, ZINC00140675, CID2805185, Methyl3-(2,2,2-trifluoroacetamido)thiophene-2-carboxylate, 3-(N-Trifluoroacetylamino)thiophene-2-carboxylic acid methyl ester, 97.5% - 250MG 250mg,

Complexity	295
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	253.002g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	253.195g/mol
Monoisotopic Mass	253.002g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	83.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.6

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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