Cyclohexanecarboxylic acid, 3-(trifluoromethyl)-


Chemical Name: Cyclohexanecarboxylic acid, 3-(trifluoromethyl)-
CAS Number: 104907-44-0
Product Number: AG0085J3(AGN-PC-00NI4Z)
Synonyms:
MDL No:
Molecular Formula: C8H11F3O2
Molecular Weight: 196.1669

Identification/Properties


Computed Properties
Molecular Weight:
196.169g/mol
XLogP3:
2.5
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
1
Exact Mass:
196.071g/mol
Monoisotopic Mass:
196.071g/mol
Topological Polar Surface Area:
37.3A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
200
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

Safety Information


NMR Spectrum


Other Analytical Data


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