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


Chemical Name: Benzene, 4-bromo-1-isocyanato-2-(trifluoromethyl)-
CAS Number: 186589-12-8
Product Number: AG003KXJ(AGN-PC-0KV44E)
Synonyms:
MDL No:
Molecular Formula: C8H3BrF3NO
Molecular Weight: 266.0147296

Identification/Properties


Properties
Form:
Liquid
Computed Properties
Molecular Weight:
266.017g/mol
XLogP3:
4.3
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
1
Exact Mass:
264.935g/mol
Monoisotopic Mass:
264.935g/mol
Topological Polar Surface Area:
29.4A^2
Heavy Atom Count:
14
Formal Charge:
0
Complexity:
250
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

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NMR Spectrum


Other Analytical Data


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