Benzeneacetic acid, 4-(trifluoromethyl)-, ethyl ester


Chemical Name: Benzeneacetic acid, 4-(trifluoromethyl)-, ethyl ester
CAS Number: 721-63-1
Product Number: AG0039TG(AGN-PC-000KQF)
Synonyms:
MDL No:
Molecular Formula: C11H11F3O2
Molecular Weight: 232.1990

Identification/Properties


Computed Properties
Molecular Weight:
232.202g/mol
XLogP3:
3.2
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
4
Exact Mass:
232.071g/mol
Monoisotopic Mass:
232.071g/mol
Topological Polar Surface Area:
26.3A^2
Heavy Atom Count:
16
Formal Charge:
0
Complexity:
230
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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