6-(trifluoromethyl)-3H-1,3-benzothiazol-2-one


Chemical Name: 6-(trifluoromethyl)-3H-1,3-benzothiazol-2-one
CAS Number: 898748-27-1
Product Number: AG006P9Q(AGN-PC-04Q5SB)
Synonyms:
MDL No:
Molecular Formula: C8H4F3NOS
Molecular Weight: 219.1837

Identification/Properties


Properties
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
219.181g/mol
XLogP3:
2.6
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
0
Exact Mass:
218.997g/mol
Monoisotopic Mass:
218.997g/mol
Topological Polar Surface Area:
54.4A^2
Heavy Atom Count:
14
Formal Charge:
0
Complexity:
256
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H302-H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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