Benzonitrile, 4,4'-(1H-1,2,4-triazol-1-ylmethylene)bis-


Chemical Name: Benzonitrile, 4,4'-(1H-1,2,4-triazol-1-ylmethylene)bis-
CAS Number: 112809-51-5
Product Number: AG0078V9(AGN-PC-04XZ2M)
Synonyms:
MDL No:
Molecular Formula: C17H11N5
Molecular Weight: 285.3027

Identification/Properties


Computed Properties
Molecular Weight:
285.31g/mol
XLogP3:
2.7
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
3
Exact Mass:
285.101g/mol
Monoisotopic Mass:
285.101g/mol
Topological Polar Surface Area:
78.3A^2
Heavy Atom Count:
22
Formal Charge:
0
Complexity:
420
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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