3-Pyrrolidinecarboxylicacid, 4-[2-(trifluoromethyl)phenyl]-, (3S,4R)-


Chemical Name: 3-Pyrrolidinecarboxylicacid, 4-[2-(trifluoromethyl)phenyl]-, (3S,4R)-
CAS Number: 1049978-59-7
Product Number: AG008UHR(AGN-PC-0NVYQT)
Synonyms:
MDL No:
Molecular Formula: C12H13ClF3NO2
Molecular Weight: 295.6853

Identification/Properties


Computed Properties
Molecular Weight:
295.686g/mol
Hydrogen Bond Donor Count:
3
Hydrogen Bond Acceptor Count:
6
Rotatable Bond Count:
2
Exact Mass:
295.059g/mol
Monoisotopic Mass:
295.059g/mol
Topological Polar Surface Area:
49.3A^2
Heavy Atom Count:
19
Formal Charge:
0
Complexity:
319
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
2
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
2
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
-
Hazard Statements:
H302-H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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