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


Chemical Name: Benzonitrile, 4,4'-(4H-1,2,4-triazol-4-ylmethylene)bis-
CAS Number: 112809-52-6
Product Number: AG008SGX(AGN-PC-000SAK)
Synonyms:
MDL No: MFCD07368028
Molecular Formula: C17H11N5
Molecular Weight: 285.3027

Identification/Properties


Computed Properties
Molecular Weight:
285.31g/mol
XLogP3:
2.2
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:
414
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


GHS Pictogram:
N/A
Signal Word:
UN#:
-
Hazard Statements:
-
Precautionary Statements:
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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