Benzene, 4-bromo-2-fluoro-1-isocyanato-


Chemical Name: Benzene, 4-bromo-2-fluoro-1-isocyanato-
CAS Number: 88112-75-8
Product Number: AG003KWV(AGN-PC-0KK60F)
Synonyms:
MDL No:
Molecular Formula: C7H3BrFNO
Molecular Weight: 216.0072

Identification/Properties


Computed Properties
Molecular Weight:
216.009g/mol
XLogP3:
3.5
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
1
Exact Mass:
214.938g/mol
Monoisotopic Mass:
214.938g/mol
Topological Polar Surface Area:
29.4A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
181
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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