Benzonitrile, 3-fluoro-5-nitro-


Chemical Name: Benzonitrile, 3-fluoro-5-nitro-
CAS Number: 110882-60-5
Product Number: AG007C1Z(AGN-PC-0KKMY9)
Synonyms:
MDL No:
Molecular Formula: C7H3FN2O2
Molecular Weight: 166.1093

Identification/Properties


Computed Properties
Molecular Weight:
166.111g/mol
XLogP3:
1.6
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
0
Exact Mass:
166.018g/mol
Monoisotopic Mass:
166.018g/mol
Topological Polar Surface Area:
69.6A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
229
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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