1H-Benzotriazole, 1-(2-pyridinyl)-


Chemical Name: 1H-Benzotriazole, 1-(2-pyridinyl)-
CAS Number: 13174-93-1
Product Number: AG000ZNQ(AGN-PC-0JPIJF)
Synonyms:
MDL No:
Molecular Formula: C11H8N4
Molecular Weight: 196.2080

Identification/Properties


Computed Properties
Molecular Weight:
196.213g/mol
XLogP3:
2
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
1
Exact Mass:
196.075g/mol
Monoisotopic Mass:
196.075g/mol
Topological Polar Surface Area:
43.6A^2
Heavy Atom Count:
15
Formal Charge:
0
Complexity:
221
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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