Benzeneacetonitrile, 3-iodo-


Chemical Name: Benzeneacetonitrile, 3-iodo-
CAS Number: 130723-54-5
Product Number: AG000UUM(AGN-PC-0KKN62)
Synonyms:
MDL No:
Molecular Formula: C8H6IN
Molecular Weight: 243.0444

Identification/Properties


Properties
MP:
34-38 °C
BP:
308.6 °C at 760 mmHg
Storage:
Keep in dry area;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
243.047g/mol
XLogP3:
2.8
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
1
Rotatable Bond Count:
1
Exact Mass:
242.954g/mol
Monoisotopic Mass:
242.954g/mol
Topological Polar Surface Area:
23.8A^2
Heavy Atom Count:
10
Formal Charge:
0
Complexity:
147
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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