Benzeneacetonitrile, 2-cyano-a-(4-fluorophenyl)-


Chemical Name: Benzeneacetonitrile, 2-cyano-a-(4-fluorophenyl)-
CAS Number: 116617-31-3
Product Number: AG000CWL(AGN-PC-0P9BOR)
Synonyms:
MDL No:
Molecular Formula: C15H9FN2
Molecular Weight: 236.2438

Identification/Properties


Computed Properties
Molecular Weight:
236.249g/mol
XLogP3:
3.1
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
2
Exact Mass:
236.075g/mol
Monoisotopic Mass:
236.075g/mol
Topological Polar Surface Area:
47.6A^2
Heavy Atom Count:
18
Formal Charge:
0
Complexity:
366
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
N/A
Signal Word:
UN#:
-
Hazard Statements:
-
Precautionary Statements:
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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