Butanenitrile, 4-iodo-


Chemical Name: Butanenitrile, 4-iodo-
CAS Number: 6727-73-7
Product Number: AG00FB7L(AGN-PC-0069YD)
Synonyms:
MDL No:
Molecular Formula: C4H6IN
Molecular Weight: 195.0016

Identification/Properties


Computed Properties
Molecular Weight:
195.003g/mol
XLogP3:
1.6
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
1
Rotatable Bond Count:
2
Exact Mass:
194.954g/mol
Monoisotopic Mass:
194.954g/mol
Topological Polar Surface Area:
23.8A^2
Heavy Atom Count:
6
Formal Charge:
0
Complexity:
61.2
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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