6-bromo-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one


Chemical Name: 6-bromo-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one
CAS Number: 425702-91-6
Product Number: AG00C6S7(AGN-PC-0NHL6K)
Synonyms:
MDL No:
Molecular Formula: C6H4BrN3O
Molecular Weight: 214.0195

Identification/Properties


Computed Properties
Molecular Weight:
214.022g/mol
XLogP3:
0.5
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
0
Exact Mass:
212.954g/mol
Monoisotopic Mass:
212.954g/mol
Topological Polar Surface Area:
44.7A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
305
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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