2,1,3-Benzoxadiazole, 1-oxide


Chemical Name: 2,1,3-Benzoxadiazole, 1-oxide
CAS Number: 480-96-6
Product Number: AG0034HY(AGN-PC-0JL88I)
Synonyms:
MDL No:
Molecular Formula: C6H4N2O2
Molecular Weight: 136.1082

Identification/Properties


Properties
MP:
66-69 °C
BP:
246.2°C at 760 mmHg
Storage:
Keep in dry area;2-8℃;
Form:
Solid
Refractive Index:
1.4738 (estimate)
Computed Properties
Molecular Weight:
136.11g/mol
XLogP3:
1.4
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
0
Exact Mass:
136.027g/mol
Monoisotopic Mass:
136.027g/mol
Topological Polar Surface Area:
51.5A^2
Heavy Atom Count:
10
Formal Charge:
0
Complexity:
131
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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