AG001XG4

167548-89-2 | 5-Thiazolecarboxylic acid, 4-(trifluoromethyl)-

AG001XG4

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CAS Number	167548-89-2
Catalog Number	AG001XG4(AGN-PC-0WBKMV)
Chemical Name	5-Thiazolecarboxylic acid, 4-(trifluoromethyl)-
IUPAC Name	4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid
InChI	InChI=1S/C5H2F3NO2S/c6-5(7,8)3-2(4(10)11)12-1-9-3/h1H,(H,10,11)
InChI Key	LGMYDWYBEAWGAV-UHFFFAOYSA-N
MDL Number	MFCD14551345
Molecular Formula	C5H2F3NO2S
Molecular Weight	197.1351
SMILES	O=C(C1=C(C(F)(F)F)N=CS1)O
Synonyms	4-(TRIFLUOROMETHYL)THIAZOLE-5-CARBOXYLIC ACID, 167548-89-2, 4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid, 5-Thiazolecarboxylic acid, 4-(trifluoromethyl)-, SCHEMBL1417795, LGMYDWYBEAWGAV-UHFFFAOYSA-N, MFCD14551345, ZINC36258825, AKOS016352826, MCULE-5151297761, SC-28955, CS-0038452, F2147-8276, Z2050688133,

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-H315-H319-H335
Packing Group
Precautionary statements	P261-P280-P301+P312-P302+P352-P305+P351+P338
UN Code

Certificate of Analysis

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