Benzonitrile, 4-(4H-1,2,4-triazol-4-ylmethyl)-


Chemical Name: Benzonitrile, 4-(4H-1,2,4-triazol-4-ylmethyl)-
CAS Number: 112809-27-5
Product Number: AG0081SA(AGN-PC-003F38)
Synonyms:
MDL No:
Molecular Formula: C10H8N4
Molecular Weight: 184.1973

Identification/Properties


Computed Properties
Molecular Weight:
184.202g/mol
XLogP3:
0.5
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
2
Exact Mass:
184.075g/mol
Monoisotopic Mass:
184.075g/mol
Topological Polar Surface Area:
54.5A^2
Heavy Atom Count:
14
Formal Charge:
0
Complexity:
218
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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