AG000ZOP

131748-96-4 | 5-Thiazolecarboxylic acid, 2-(trifluoromethyl)-, ethyl ester

AG000ZOP

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CAS Number	131748-96-4
Catalog Number	AG000ZOP(AGN-PC-00427F)
Chemical Name	5-Thiazolecarboxylic acid, 2-(trifluoromethyl)-, ethyl ester
IUPAC Name	ethyl 2-(trifluoromethyl)-1,3-thiazole-5-carboxylate
InChI	InChI=1S/C7H6F3NO2S/c1-2-13-5(12)4-3-11-6(14-4)7(8,9)10/h3H,2H2,1H3
InChI Key	KQTWGECEHUVSPX-UHFFFAOYSA-N
MDL Number	MFCD09055619
Molecular Formula	C7H6F3NO2S
Molecular Weight	225.1882
SMILES	C(C)OC(=O)C1=CN=C(S1)C(F)(F)F
Synonyms	131748-96-4, ETHYL 2-(TRIFLUOROMETHYL)THIAZOLE-5-CARBOXYLATE, ethyl 2-(trifluoromethyl)-1,3-thiazole-5-carboxylate, 2-Trifluoromethylthiazole-5-carboxylic acid ethyl ester, 2-(Trifluoromethyl)-5-thiazolecarboxylic acid ethyl ester, AK-47809, W-205380, 2-Trifluoromethyl-thiazole-5-carboxylic acid ethyl ester, MFCD09055619, ACMC-209unr, SCHEMBL5755213, CTK4B7493, DTXSID90569510, KQTWGECEHUVSPX-UHFFFAOYSA-N, BCP26268, CS-B0813, KS-000001MV, ZX-RL000279, ANW-44005, CE-713, ZINC30678566, AKOS005255115, FS-3184, PB18968, QC-3564, RP05364, TRA0061148, AJ-84123, BBV-40267535, BR-47809, CJ-17765, PC400725, SC-14435, SY033618, AB0003049, AX8161518, TC-069469, 4CH-008741, AM20080230, FT-0684569, ST24030480, X9809, MFCD09055619 (97%), ethyl 2-(trifluoromethyl)-5-thiazolecarboxylate, S-5144, 2-Trifluoromethylthiazole-5-carboxylic acid ethyl, Ethyl 2-(trifluoromethyl);thiazole-5-carboxylate, Ethyl 2-(trifluoromethyl)thiazole-5-carboxylate, 97%, 5-Thiazolecarboxylic acid, 2-(trifluoromethyl)-, ethyl ester, C7H6F3NO2S,

Complexity	222
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	225.007g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	225.185g/mol
Monoisotopic Mass	225.007g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	67.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	3
Hazard statements	H227-H302-H315-H317-H319-H335
Packing Group	Ⅲ
Precautionary statements	P210-P261-P280-P305+P351+P338
UN Code	UN 1993

Certificate of Analysis

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