AG002NH9

235101-36-7 | 2-Benzothiazolamine, 4-(trifluoromethoxy)-

AG002NH9

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CAS Number	235101-36-7
Catalog Number	AG002NH9(AGN-PC-0N7WDO)
Chemical Name	2-Benzothiazolamine, 4-(trifluoromethoxy)-
IUPAC Name	4-(trifluoromethoxy)-1,3-benzothiazol-2-amine
InChI	InChI=1S/C8H5F3N2OS/c9-8(10,11)14-4-2-1-3-5-6(4)13-7(12)15-5/h1-3H,(H2,12,13)
InChI Key	YSURRMGJTOKALN-UHFFFAOYSA-N
MDL Number	MFCD11189728
Molecular Formula	C8H5F3N2OS
Molecular Weight	234.1983
SMILES	NC1=NC2=C(OC(F)(F)F)C=CC=C2S1
Synonyms	4-(Trifluoromethoxy)benzo[d]thiazol-2-amine, 235101-36-7, 2-Benzothiazolamine, 4-(trifluoromethoxy)-, 4-(trifluoromethoxy)-1,3-benzothiazol-2-amine, 2-amino-4-triflouromethoxybenzothiazol, 2-AMINO-4-TRIFLUOROMETHOXYBENZOTHIAZOLE, CHEMBL442192, SCHEMBL1420069, DTXSID80442803, YSURRMGJTOKALN-UHFFFAOYSA-N, 1586AB, ZINC20432678, 2-amino-4-trifluoromethoxybenzothiazol, AKOS009251893, 4-(trifluoromethoxy)-2-benzothiazolamine, 2-amino-4-(trifluoromethoxy)benzothiazole, AJ-77507, AN-29444, 4-Trifluoromethoxy-benzothiazol-2-yl-amine, AX8247894, CS-0080654, 189T728, C8H5F3N2OS, CID10633417, 4-(trifluoromethoxy)benzothiazol-2-amine,

Complexity	238
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	234.007g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	234.196g/mol
Monoisotopic Mass	234.007g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	76.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.2

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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