1,1,1-trifluorohenicosa-6,9,12,15-tetraen-2-one


Chemical Name: 1,1,1-trifluorohenicosa-6,9,12,15-tetraen-2-one
CAS Number: 149301-79-1
Product Number: AG001LK2(AGN-PC-0JK65Z)
Synonyms:
MDL No: MFCD00236427
Molecular Formula: C21H31F3O
Molecular Weight: 356.4654

Identification/Properties


Computed Properties
Molecular Weight:
356.473g/mol
XLogP3:
7.6
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
14
Exact Mass:
356.233g/mol
Monoisotopic Mass:
356.233g/mol
Topological Polar Surface Area:
17.1A^2
Heavy Atom Count:
25
Formal Charge:
0
Complexity:
443
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

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NMR Spectrum


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