Benzenepropanoic acid, b-oxo-2-(trifluoromethyl)-, ethyl ester


Chemical Name: Benzenepropanoic acid, b-oxo-2-(trifluoromethyl)-, ethyl ester
CAS Number: 89424-17-9
Product Number: AG003PZA(AGN-PC-0VP054)
Synonyms:
MDL No:
Molecular Formula: C12H11F3O3
Molecular Weight: 260.2091

Identification/Properties


Properties
BP:
288.8°C at 760 mmHg
Storage:
Keep in dry area;2-8℃;
Form:
Liquid
Refractive Index:
n20/D 1.4875(lit.)
Computed Properties
Molecular Weight:
260.212g/mol
XLogP3:
2.9
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
6
Rotatable Bond Count:
5
Exact Mass:
260.066g/mol
Monoisotopic Mass:
260.066g/mol
Topological Polar Surface Area:
43.4A^2
Heavy Atom Count:
18
Formal Charge:
0
Complexity:
312
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:
N/A
Signal Word:
UN#:
-
Hazard Statements:
-
Precautionary Statements:
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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