Benzonitrile, 4-(1H-imidazol-1-yl)-


Chemical Name: Benzonitrile, 4-(1H-imidazol-1-yl)-
CAS Number: 25372-03-6
Product Number: AG007NDT(AGN-PC-0JMOF5)
Synonyms:
MDL No:
Molecular Formula: C10H7N3
Molecular Weight: 169.1827

Identification/Properties


Computed Properties
Molecular Weight:
169.187g/mol
XLogP3:
1.4
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
1
Exact Mass:
169.064g/mol
Monoisotopic Mass:
169.064g/mol
Topological Polar Surface Area:
41.6A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
210
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


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