2,1,3-Benzoxadiazole-5-carbonitrile


Chemical Name: 2,1,3-Benzoxadiazole-5-carbonitrile
CAS Number: 54286-62-3
Product Number: AG00D86C(AGN-PC-0KK73X)
Synonyms:
MDL No:
Molecular Formula: C7H3N3O
Molecular Weight: 145.1182

Identification/Properties


Computed Properties
Molecular Weight:
145.121g/mol
XLogP3:
0.9
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
0
Exact Mass:
145.028g/mol
Monoisotopic Mass:
145.028g/mol
Topological Polar Surface Area:
62.7A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
197
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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