AG00GSHB

915030-08-9 | 2-(TRIFLUOROMETHYL)-1,3-THIAZOLE-4-CARBOXYLIC ACID

AG00GSHB

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CAS Number	915030-08-9
Catalog Number	AG00GSHB(AGN-PC-05F9VX)
Chemical Name	2-(TRIFLUOROMETHYL)-1,3-THIAZOLE-4-CARBOXYLIC ACID
IUPAC Name	2-(trifluoromethyl)-1,3-thiazole-4-carboxylic acid
InChI	InChI=1S/C5H2F3NO2S/c6-5(7,8)4-9-2(1-12-4)3(10)11/h1H,(H,10,11)
InChI Key	KPPCPQREZHKKRA-UHFFFAOYSA-N
MDL Number	MFCD09258845
Molecular Formula	C5H2F3NO2S
Molecular Weight	197.1351
SMILES	C(F)(F)(F)c1nc(cs1)C(=O)O
Synonyms	915030-08-9, 2-(Trifluoromethyl)thiazole-4-carboxylic acid, 2-(trifluoromethyl)-1,3-thiazole-4-carboxylic acid, C5H2F3NO2S, 4-Thiazolecarboxylic acid, 2-(trifluoromethyl)-, MFCD09258845, SCHEMBL287556, CTK5G9725, DTXSID60651754, KPPCPQREZHKKRA-UHFFFAOYSA-N, KS-00000OO0, ANW-44636, SBB053111, ZINC20357784, AKOS006282785, AS-5422, CS-W019092, MCULE-6147877965, QC-3524, RP04105, SB12304, AJ-77176, AK-64327, BL007644, EN000260, SC-31236, SY042896, AB0001460, DB-010872, TR-038387, 2-Trifluoromethyl-thiazole-4-carboxylic acid, 4-Carboxy-2-(trifluoromethyl)-1,3-thiazole, 4CH-010363, FT-0682836, ST24021922, ST50949617, Y5651, MFCD09258845 (95%), A23308, M-9356, 2-trifluoromethyl-1,3-thiazole-4 carboxylic acid, I04-5194, I09-1115, J-506685, Z1741971283, 2-(Trifluoromethyl)thiazole-4-carboxylic acid, 95% (GC), H202, 2-(trifluoromethyl)-4-Thiazolecarboxylic acid,

Complexity	196
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	196.976g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	197.131g/mol
Monoisotopic Mass	196.976g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	78.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

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