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


Chemical Name: Benzene, 4-bromo-2-fluoro-1-isothiocyanato-
CAS Number: 81171-71-3
Product Number: AG003KWW(AGN-PC-0KKLG5)
Synonyms:
MDL No:
Molecular Formula: C7H3BrFNS
Molecular Weight: 232.0728232

Identification/Properties


Computed Properties
Molecular Weight:
232.07g/mol
XLogP3:
4.1
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
1
Exact Mass:
230.915g/mol
Monoisotopic Mass:
230.915g/mol
Topological Polar Surface Area:
44.4A^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

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NMR Spectrum


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