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


Chemical Name: Benzeneacetic acid, 4-(trifluoromethyl)-, methyl ester
CAS Number: 135325-18-7
Product Number: AG009X5P(AGN-PC-0NK0GZ)
Synonyms:
MDL No:
Molecular Formula: C10H9F3O2
Molecular Weight: 218.1725

Identification/Properties


Computed Properties
Molecular Weight:
218.175g/mol
XLogP3:
2.8
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
3
Exact Mass:
218.055g/mol
Monoisotopic Mass:
218.055g/mol
Topological Polar Surface Area:
26.3A^2
Heavy Atom Count:
15
Formal Charge:
0
Complexity:
217
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


GHS Pictogram:
Signal Word:
Warning
UN#:
-
Hazard Statements:
H302-H315-H320-H335
Precautionary Statements:
P264-P270-P301+P312-P330
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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