3-(2H-triazol-4-yl)benzonitrile


Chemical Name: 3-(2H-triazol-4-yl)benzonitrile
CAS Number: 550364-01-7
Product Number: AG003I0S(AGN-PC-005SLB)
Synonyms:
MDL No:
Molecular Formula: C9H6N4
Molecular Weight: 170.1707

Identification/Properties


Properties
Storage:
Keep in dry area;Room Temperature;
Computed Properties
Molecular Weight:
170.175g/mol
XLogP3:
1
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
1
Exact Mass:
170.059g/mol
Monoisotopic Mass:
170.059g/mol
Topological Polar Surface Area:
65.4A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
219
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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