3-iodo-1-trityl-1,2,4-triazole


Chemical Name: 3-iodo-1-trityl-1,2,4-triazole
CAS Number: 151899-62-6
Product Number: AG00ANJQ(AGN-PC-0A4K0W)
Synonyms:
MDL No:
Molecular Formula: C21H16IN3
Molecular Weight: 437.2763

Identification/Properties


Computed Properties
Molecular Weight:
437.284g/mol
XLogP3:
5.5
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
4
Exact Mass:
437.039g/mol
Monoisotopic Mass:
437.039g/mol
Topological Polar Surface Area:
30.7A^2
Heavy Atom Count:
25
Formal Charge:
0
Complexity:
366
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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