(3S,4R)-1-benzyl-4-(4-fluorophenyl)pyrrolidine-3-carboxylic acid


Chemical Name: (3S,4R)-1-benzyl-4-(4-fluorophenyl)pyrrolidine-3-carboxylic acid
CAS Number: 80909-49-5
Product Number: AG005IA6(AGN-PC-0WA24X)
Synonyms:
MDL No:
Molecular Formula: C18H18FNO2
Molecular Weight: 299.3394

Identification/Properties


Properties
Storage:
Inert atmosphere;2-8℃;
Computed Properties
Molecular Weight:
299.345g/mol
XLogP3:
0.6
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
4
Exact Mass:
299.132g/mol
Monoisotopic Mass:
299.132g/mol
Topological Polar Surface Area:
40.5A^2
Heavy Atom Count:
22
Formal Charge:
0
Complexity:
375
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:
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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