perfluorophenyl 1-(bicyclo[6.1.0]non-4-yn-9-yl)-3-oxo-2,7,10-trioxa-4-azatridecan-13-oate


Chemical Name: perfluorophenyl 1-(bicyclo[6.1.0]non-4-yn-9-yl)-3-oxo-2,7,10-trioxa-4-azatridecan-13-oate
CAS Number: 1421932-53-7
Product Number: AG001HX9(AGN-PC-0WAGI1)
Synonyms:
MDL No:
Molecular Formula: C24H26F5NO6
Molecular Weight: 519.4584

Identification/Properties


Computed Properties
Molecular Weight:
519.465g/mol
XLogP3:
3.9
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
11
Rotatable Bond Count:
14
Exact Mass:
519.168g/mol
Monoisotopic Mass:
519.168g/mol
Topological Polar Surface Area:
83.1A^2
Heavy Atom Count:
36
Formal Charge:
0
Complexity:
772
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

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NMR Spectrum


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