Benzonitrile, 4-isocyanato-


Chemical Name: Benzonitrile, 4-isocyanato-
CAS Number: 40465-45-0
Product Number: AG003L9F(AGN-PC-0JPRCG)
Synonyms:
MDL No:
Molecular Formula: C8H4N2O
Molecular Weight: 144.1302

Identification/Properties


Properties
Storage:
Inert atmosphere;2-8℃;
Computed Properties
Molecular Weight:
144.133g/mol
XLogP3:
2.4
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
1
Exact Mass:
144.032g/mol
Monoisotopic Mass:
144.032g/mol
Topological Polar Surface Area:
53.2A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
214
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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