1,2,4-Benzotriazin-3-amine, 1-oxide


Chemical Name: 1,2,4-Benzotriazin-3-amine, 1-oxide
CAS Number: 5424-06-6
Product Number: AG00D822(AGN-PC-0JLS10)
Synonyms:
MDL No:
Molecular Formula: C7H6N4O
Molecular Weight: 162.14874

Identification/Properties


Computed Properties
Molecular Weight:
162.152g/mol
XLogP3:
-0.1
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
0
Exact Mass:
162.054g/mol
Monoisotopic Mass:
162.054g/mol
Topological Polar Surface Area:
77.3A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
166
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


NMR Spectrum


Other Analytical Data


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