Benzene, 1-fluoro-4-isocyanato-2-(trifluoromethyl)-


Chemical Name: Benzene, 1-fluoro-4-isocyanato-2-(trifluoromethyl)-
CAS Number: 139057-86-6
Product Number: AG001A3C(AGN-PC-0KK60X)
Synonyms:
MDL No:
Molecular Formula: C8H3F4NO
Molecular Weight: 205.1091

Identification/Properties


Properties
BP:
48 °C1 mm Hg(lit.)
Form:
Liquid
Refractive Index:
n20/D 1.461(lit.)
Computed Properties
Molecular Weight:
205.112g/mol
XLogP3:
3.7
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
6
Rotatable Bond Count:
1
Exact Mass:
205.015g/mol
Monoisotopic Mass:
205.015g/mol
Topological Polar Surface Area:
29.4A^2
Heavy Atom Count:
14
Formal Charge:
0
Complexity:
246
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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