AG006P9Q

898748-27-1 | 2-Hydroxy-6-(trifluoromethyl)benzothiazole

AG006P9Q

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CAS Number	898748-27-1
Catalog Number	AG006P9Q(AGN-PC-04Q5SB)
Chemical Name	2-Hydroxy-6-(trifluoromethyl)benzothiazole
IUPAC Name	6-(trifluoromethyl)-3H-1,3-benzothiazol-2-one
InChI	InChI=1S/C8H4F3NOS/c9-8(10,11)4-1-2-5-6(3-4)14-7(13)12-5/h1-3H,(H,12,13)
InChI Key	KEZZFJQCDUJFJY-UHFFFAOYSA-N
MDL Number	MFCD09748558
Molecular Formula	C8H4F3NOS
Molecular Weight	219.1837
SMILES	FC(F)(F)C1=CC2=C(NC(=O)S2)C=C1
Synonyms	6-(Trifluoromethyl)benzo[d]thiazol-2(3H)-one, 898748-27-1, AK-87476, 2-Hydroxy-6-(trifluoromethyl)benzothiazole, 6-(trifluoromethyl)-3H-1,3-benzothiazol-2-one, 6--trifluoromethyl-2(3H)-benzothiazolone, PubChem21738, CTK8C1080, KS-00000QGF, DTXSID30646596, ANW-65849, MFCD09748558, ZINC14985073, FCH1737309, 6-Trifluoromethyl-2(3H)-benzothiazolone, AJ-66317, DS-18328, AX8236625, TC-154594, 6-(Trifluoromethyl)benzothiazole-2(3H)-one, FT-0688540, W-3484, 6-(Trifluoromethyl)-benzo[d]thiazol-2(3H)-one, 6-(Trifluoromethyl)-1,3-benzothiazol-2(3H)-one, A843367, 6-(trifluoromethyl)-2,3-dihydro-1,3-benzothiazol-2-one, 6- -2 -BENZOTHIAZOLONE, 6-(Trifluoromethyl)-benzo[d]thiazol-2(3H)-one, 97% - 10MG 10mg,

Complexity	256
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	218.997g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	219.181g/mol
Monoisotopic Mass	218.997g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	54.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.6

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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