Isoxazole, 4-nitro-


Chemical Name: Isoxazole, 4-nitro-
CAS Number: 1121-13-7
Product Number: AG007UGS(AGN-PC-006Z0B)
Synonyms:
MDL No:
Molecular Formula: C3H2N2O3
Molecular Weight: 114.0596

Identification/Properties


Computed Properties
Molecular Weight:
114.06g/mol
XLogP3:
0.2
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
0
Exact Mass:
114.007g/mol
Monoisotopic Mass:
114.007g/mol
Topological Polar Surface Area:
71.8A^2
Heavy Atom Count:
8
Formal Charge:
0
Complexity:
99.2
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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