Methanone,(4-bromophenyl)[2-fluoro-4-[[6-(methyl-2-propenylamino)hexyl]oxy]phenyl]-, (2E)-2-butenedioate (1:1)


Chemical Name: Methanone,(4-bromophenyl)[2-fluoro-4-[[6-(methyl-2-propenylamino)hexyl]oxy]phenyl]-, (2E)-2-butenedioate (1:1)
CAS Number: 189197-69-1
Product Number: AG002I1C(AGN-PC-0QIL3H)
Synonyms:
MDL No:
Molecular Formula: C27H31BrFNO6
Molecular Weight: 564.4405

Identification/Properties


Properties
MP:
90-92.7℃
Storage:
Inert atmosphere;-10 ℃;
Form:
Solid
Computed Properties
Molecular Weight:
564.448g/mol
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
8
Rotatable Bond Count:
14
Exact Mass:
563.132g/mol
Monoisotopic Mass:
563.132g/mol
Topological Polar Surface Area:
104A^2
Heavy Atom Count:
36
Formal Charge:
0
Complexity:
587
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
2
Compound Is Canonicalized:
Yes

Safety Information


NMR Spectrum


Other Analytical Data


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