Benzene, 1-nitro-4-[(trifluoromethyl)sulfonyl]-


Chemical Name: Benzene, 1-nitro-4-[(trifluoromethyl)sulfonyl]-
CAS Number: 432-87-1
Product Number: AG00DIIR(AGN-PC-0JTN79)
Synonyms:
MDL No:
Molecular Formula: C7H4F3NO4S
Molecular Weight: 255.1712

Identification/Properties


Computed Properties
Molecular Weight:
255.167g/mol
XLogP3:
2.5
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
7
Rotatable Bond Count:
1
Exact Mass:
254.981g/mol
Monoisotopic Mass:
254.981g/mol
Topological Polar Surface Area:
88.3A^2
Heavy Atom Count:
16
Formal Charge:
0
Complexity:
359
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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