Benzoic acid, 2,5-bis(2,2,2-trifluoroethoxy)-, 2,2,2-trifluoroethyl ester


Chemical Name: Benzoic acid, 2,5-bis(2,2,2-trifluoroethoxy)-, 2,2,2-trifluoroethyl ester
CAS Number: 50778-57-9
Product Number: AG006VTK(AGN-PC-005WWN)
Synonyms:
MDL No:
Molecular Formula: C13H9F9O4
Molecular Weight: 400.1938

Identification/Properties


Properties
Storage:
2-8℃;
Computed Properties
Molecular Weight:
400.197g/mol
XLogP3:
5.1
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
13
Rotatable Bond Count:
7
Exact Mass:
400.036g/mol
Monoisotopic Mass:
400.036g/mol
Topological Polar Surface Area:
44.8A^2
Heavy Atom Count:
26
Formal Charge:
0
Complexity:
458
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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