1,1,1,2,2-pentafluoro-7-phenylheptan-3-one


Chemical Name: 1,1,1,2,2-pentafluoro-7-phenylheptan-3-one
CAS Number: 1071000-98-0
Product Number: AG008SRU(AGN-PC-04VF5G)
Synonyms:
MDL No: MFCD18382097
Molecular Formula: C13H13F5O
Molecular Weight: 280.2337

Identification/Properties


Computed Properties
Molecular Weight:
280.238g/mol
XLogP3:
4.5
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
6
Rotatable Bond Count:
6
Exact Mass:
280.089g/mol
Monoisotopic Mass:
280.089g/mol
Topological Polar Surface Area:
17.1A^2
Heavy Atom Count:
19
Formal Charge:
0
Complexity:
292
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

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NMR Spectrum


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