5-(3-nitro-phenyl)-isoxazole


Chemical Name: 5-(3-nitro-phenyl)-isoxazole
CAS Number: 126633-02-1
Product Number: AG000T10(AGN-PC-0WAJDT)
Synonyms:
MDL No:
Molecular Formula: C9H6N2O3
Molecular Weight: 190.1555

Identification/Properties


Computed Properties
Molecular Weight:
190.158g/mol
XLogP3:
1.9
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
1
Exact Mass:
190.038g/mol
Monoisotopic Mass:
190.038g/mol
Topological Polar Surface Area:
71.8A^2
Heavy Atom Count:
14
Formal Charge:
0
Complexity:
217
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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