3-(4-Chlorobenzyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-ol


Chemical Name: 3-(4-Chlorobenzyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-ol
CAS Number: 132269-53-5
Product Number: AG0010GG(AGN-PC-0WAI6L)
Synonyms:
MDL No:
Molecular Formula: C11H8ClN5O
Molecular Weight: 261.6671

Identification/Properties


Computed Properties
Molecular Weight:
261.669g/mol
XLogP3:
1.4
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
2
Exact Mass:
261.042g/mol
Monoisotopic Mass:
261.042g/mol
Topological Polar Surface Area:
72.2A^2
Heavy Atom Count:
18
Formal Charge:
0
Complexity:
355
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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