Benzene, 1,3,5-trifluoro-2-isothiocyanato-


Chemical Name: Benzene, 1,3,5-trifluoro-2-isothiocyanato-
CAS Number: 206761-91-3
Product Number: AG002IOC(AGN-PC-0JTNRJ)
Synonyms:
MDL No:
Molecular Formula: C7H2F3NS
Molecular Weight: 189.1577

Identification/Properties


Properties
BP:
213.9°C at 760 mmHg
Storage:
Keep in dry area;2-8℃;
Form:
Liquid
Computed Properties
Molecular Weight:
189.155g/mol
XLogP3:
3.6
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
1
Exact Mass:
188.986g/mol
Monoisotopic Mass:
188.986g/mol
Topological Polar Surface Area:
44.4A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
193
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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