AG00EOPT

58460-24-5 | 5-Benzothiazolamine,2-(trifluoromethyl)-(9CI)

AG00EOPT

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CAS Number	58460-24-5
Catalog Number	AG00EOPT(AGN-PC-0SPV5O)
Chemical Name	5-Benzothiazolamine,2-(trifluoromethyl)-(9CI)
IUPAC Name	2-(trifluoromethyl)-1,3-benzothiazol-5-amine
InChI	InChI=1S/C8H5F3N2S/c9-8(10,11)7-13-5-3-4(12)1-2-6(5)14-7/h1-3H,12H2
InChI Key	CTCYOMZRHNZGRF-UHFFFAOYSA-N
MDL Number	MFCD18821454
Molecular Formula	C8H5F3N2S
Molecular Weight	218.1989
SMILES	NC1=CC=C(SC(C(F)(F)F)=N2)C2=C1
Synonyms	2-(trifluoromethyl)benzo[d]thiazol-5-amine, 58460-24-5, 2-(trifluoromethyl)-1,3-benzothiazol-5-amine, MFCD18821454, ZINC45237524, AKOS022668409, FCH1565749, MCULE-3916611508, AS-50019, AX8261022, F1923-0284, 5-Benzothiazolamine, 2-(trifluoromethyl)- (9CI),

Complexity	221
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	218.013g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	218.197g/mol
Monoisotopic Mass	218.013g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	67.2A^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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