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1289584-88-8 | 1-Pyrrolidinecarboxylic acid, 3-[(4-fluorophenyl)thio]-, 1,1-dimethylethyl ester, (3S)-
CAS No: 1289584-88-8 Catalog No: AG000YPH MDL No:
Product Description
Catalog Number:
AG000YPH
Chemical Name:
1-Pyrrolidinecarboxylic acid, 3-[(4-fluorophenyl)thio]-, 1,1-dimethylethyl ester, (3S)-
CAS Number:
1289584-88-8
Molecular Formula:
C15H20FNO2S
Molecular Weight:
297.3882
IUPAC Name:
tert-butyl (3S)-3-(4-fluorophenyl)sulfanylpyrrolidine-1-carboxylate
InChI:
InChI=1S/C15H20FNO2S/c1-15(2,3)19-14(18)17-9-8-13(10-17)20-12-6-4-11(16)5-7-12/h4-7,13H,8-10H2,1-3H3/t13-/m0/s1
InChI Key:
AUGONQZUUQXPDK-ZDUSSCGKSA-N
SMILES:
Fc1ccc(cc1)S[C@H]1CCN(C1)C(=O)OC(C)(C)C
Properties
Complexity:
337
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
297.12g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
297.388g/mol
Monoisotopic Mass:
297.12g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
54.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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