AG00FBA9

72850-52-3 | Ethyl 2-chloro-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate

AG00FBA9

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CAS Number	72850-52-3
Catalog Number	AG00FBA9(AGN-PC-0K2DOG)
Chemical Name	Ethyl 2-chloro-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate
IUPAC Name	ethyl 2-chloro-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate
InChI	InChI=1S/C7H5ClF3NO2S/c1-2-14-5(13)3-4(7(9,10)11)12-6(8)15-3/h2H2,1H3
InChI Key	RLZUPBSTNNZDDH-UHFFFAOYSA-N
MDL Number	MFCD02956778
Molecular Formula	C7H5ClF3NO2S
Molecular Weight	259.6333
SMILES	O=C(C1=C(C(F)(F)F)N=C(Cl)S1)OCC
Synonyms	72850-52-3, Ethyl 2-chloro-4-(trifluoromethyl)thiazole-5-carboxylate, ethyl 2-chloro-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate, AK124138, 5-Thiazolecarboxylic acid, 2-chloro-4-(trifluoromethyl)-, ethyl ester, AC1LO8IR, SCHEMBL2309900, CTK5D6952, DTXSID70361231, RLZUPBSTNNZDDH-UHFFFAOYSA-N, ZINC1018011, ZX-AP000923, 8835AE, ABP001141, KM1510, MFCD02956778, SBB102225, AKOS005070716, AB12783, MCULE-2299507308, PC14280, RP14689, KS-00000F46, AC-27425, AJ-24680, CC-27780, ZB015635, ethylchlorotrifluoromethylthiazolecarboxylate, AX8010346, DB-055685, TR-023730, FT-0641428, ST24033180, 5Y-0700, A837641, C-16180, J-520729, ethyl 2-chloro-4-trifluoromethyl-5-thiazolecaboxylate, I14-28581, ethyl 2-chloro-4-(trifluoromethyl)-5-thiazolecarboxylate, Ethyl 2-chloro-4-(trifluoromethyl)-1,3-thiazole-5carboxylate, ETHYL 2-CHLORO-4-TRIFLUOROMETHYL-5-THIAZOLECARBOXYLATE, 2-chloro-4-(trifluoromethyl)-5-thiazolecarboxylic acid ethyl ester, ethyl 2-chloranyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate, 5-Thiazolecarboxylicacid, 2-chloro-4-(trifluoromethyl)-, ethyl ester, ETHYL2-CHLORO-4-(TRIFLUOROMETHYL)-1,3-THIAZOLE-5-CARBOXYLATE, C7H5ClF3NO2S, ZINC01018011, CID1235240, Ethyl2-chloro-4-(trifluoromethyl)thiazole-5-carboxylate,

Complexity	251
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	258.968g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	259.627g/mol
Monoisotopic Mass	258.968g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	67.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.4

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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