5-tert-butyl-3-(3-nitrophenyl)-1,2,4-oxadiazole


Chemical Name: 5-tert-butyl-3-(3-nitrophenyl)-1,2,4-oxadiazole
CAS Number: 1004398-30-4
Product Number: AG0001Z7(AGN-PC-0MJSHL)
Synonyms:
MDL No:
Molecular Formula: C12H13N3O3
Molecular Weight: 247.2499

Identification/Properties


Properties
Storage:
Keep in dry area;2-8℃;
Computed Properties
Molecular Weight:
247.254g/mol
XLogP3:
3.3
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
2
Exact Mass:
247.096g/mol
Monoisotopic Mass:
247.096g/mol
Topological Polar Surface Area:
84.7A^2
Heavy Atom Count:
18
Formal Charge:
0
Complexity:
311
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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