Benzene, 1-isothiocyanato-4-(trifluoromethoxy)-


Chemical Name: Benzene, 1-isothiocyanato-4-(trifluoromethoxy)-
CAS Number: 64285-95-6
Product Number: AG003KB9(AGN-PC-0KKY5V)
Synonyms:
MDL No:
Molecular Formula: C8H4F3NOS
Molecular Weight: 219.1837

Identification/Properties


Properties
Storage:
Inert atmosphere;2-8℃;
Form:
Liquid
Computed Properties
Molecular Weight:
219.181g/mol
XLogP3:
4.8
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
6
Rotatable Bond Count:
2
Exact Mass:
218.997g/mol
Monoisotopic Mass:
218.997g/mol
Topological Polar Surface Area:
53.7A^2
Heavy Atom Count:
14
Formal Charge:
0
Complexity:
229
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


NMR Spectrum


Other Analytical Data


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