ethyl 4-(2,2,2-trifluoroacetyl)benzoate


Chemical Name: ethyl 4-(2,2,2-trifluoroacetyl)benzoate
CAS Number: 898787-14-9
Product Number: AG003Q8R(AGN-PC-04Q47P)
Synonyms:
MDL No: MFCD01319974
Molecular Formula: C11H9F3O3
Molecular Weight: 246.1826

Identification/Properties


Properties
BP:
293.1°C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Computed Properties
Molecular Weight:
246.185g/mol
XLogP3:
3.6
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
6
Rotatable Bond Count:
4
Exact Mass:
246.05g/mol
Monoisotopic Mass:
246.05g/mol
Topological Polar Surface Area:
43.4A^2
Heavy Atom Count:
17
Formal Charge:
0
Complexity:
291
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

Safety Information


NMR Spectrum


Other Analytical Data


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