3-(benzenesulfonyl)-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methylpropanamide


Chemical Name: 3-(benzenesulfonyl)-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methylpropanamide
CAS Number: 90357-05-4
Product Number: AG006RKJ(AGN-PC-0MYYXJ)
Synonyms:
MDL No:
Molecular Formula: C18H15F3N2O4S
Molecular Weight: 412.3829

Identification/Properties


Properties
MP:
175-178 °C(Solv: ethyl acetate (141-78-6); hexane (110-54-3))
BP:
656.1±55.0 °C(Predicted)
Storage:
Room Temperature;
Form:
Liquid
Computed Properties
Molecular Weight:
412.383g/mol
XLogP3:
2.2
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
8
Rotatable Bond Count:
5
Exact Mass:
412.07g/mol
Monoisotopic Mass:
412.07g/mol
Topological Polar Surface Area:
116A^2
Heavy Atom Count:
28
Formal Charge:
0
Complexity:
719
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
1
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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