AG003Q3J

72850-79-4 | Ethyl 2-Bromo-4-(trifluoromethyl)thiazole-5-carboxylate

AG003Q3J

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CAS Number	72850-79-4
Catalog Number	AG003Q3J(AGN-PC-00LUPX)
Chemical Name	Ethyl 2-Bromo-4-(trifluoromethyl)thiazole-5-carboxylate
IUPAC Name	ethyl 2-bromo-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate
InChI	InChI=1S/C7H5BrF3NO2S/c1-2-14-5(13)3-4(7(9,10)11)12-6(8)15-3/h2H2,1H3
InChI Key	XPAISTXWPBHIMZ-UHFFFAOYSA-N
MDL Number	MFCD08166749
Molecular Formula	C7H5BrF3NO2S
Molecular Weight	304.0843
SMILES	CCOC(=O)C1=C(N=C(Br)S1)C(F)(F)F
Synonyms	72850-79-4, Ethyl 2-bromo-4-(trifluoromethyl)thiazole-5-carboxylate, Ethyl 2-Bromo-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate, ethyl 2-bromo-4-trifluoromethylthiazole-5-carboxylate, 2-bromo-4-(trifluoromethyl)thiazole-5-carboxylic acid ethyl ester, 2-Bromo-4-trifluoromethyl-thiazole-5-carboxylic acid ethyl ester, 5-Thiazolecarboxylic acid, 2-bromo-4-(trifluoromethyl)-, ethyl ester, SCHEMBL299362, CTK5D6955, DTXSID20534554, XPAISTXWPBHIMZ-UHFFFAOYSA-N, 1311AC, ANW-72511, MFCD08166749, PC7478, ZINC15443619, AKOS005072668, AB43576, AC-7165, AN-9244, FC-0727, MCULE-4559218336, QC-6267, RP16167, TRA0073653, AJ-67497, AK-36232, CJ-15140, ethylbromotrifluoromethylthiazolecarboxylate, SC-27901, SY004495, AB0002510, AB1000128, AX8071685, TC-030672, BB 0259738, FT-0602646, Z-1452, MFCD08166749 (97+%), A816888, Ethyl2-bromo-4-trifluoromethylthiazole-5-carboxylate, J-520716, Ethyl 2-Bromo-4-(trifluoromethyl)-1,3-thiazole-5-c, Ethyl 2-Bromo-4-Trifluoromethyl-5-Thiazolecarboxylate, I14-26205, ethyl 2-bromo-4-trifluoromethyl-1,3-thiazole-5-carboxylate, 2-bromo-4-(trifluoromethyl)-5-thiazolecarboxylic acid ethyl ester, 5-Thiazolecarboxylicacid, 2-bromo-4-(trifluoromethyl)-, ethyl ester, 5-Thiazolecarboxylicacid,2-bromo-4-(trifluoromethyl)-,ethyl ester, ethyl 2-bromanyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate, null, C7H5BrF3NO2S, 2-BROMO-4- THIAZOLE-5-CARBOXYLICACIDETHYLESTER, 5-Thiazolecarboxylic acid, 2-bromo-4-(trifluoromethyl)-, ethyl ester (9CI), 23761-23-1,

Complexity	251
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	302.918g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	304.081g/mol
Monoisotopic Mass	302.918g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	67.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.5

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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