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1314419-66-3 | 1-Pyrrolidinecarboxylic acid, 3-(4-fluorophenoxy)-, 1,1-dimethylethyl ester, (3R)-
CAS No: 1314419-66-3 Catalog No: AG000W6W MDL No:MFCD19442783
Product Description
Catalog Number:
AG000W6W
Chemical Name:
1-Pyrrolidinecarboxylic acid, 3-(4-fluorophenoxy)-, 1,1-dimethylethyl ester, (3R)-
CAS Number:
1314419-66-3
Molecular Formula:
C15H20FNO3
Molecular Weight:
281.3226
MDL Number:
MFCD19442783
IUPAC Name:
tert-butyl (3R)-3-(4-fluorophenoxy)pyrrolidine-1-carboxylate
InChI:
InChI=1S/C15H20FNO3/c1-15(2,3)20-14(18)17-9-8-13(10-17)19-12-6-4-11(16)5-7-12/h4-7,13H,8-10H2,1-3H3/t13-/m1/s1
InChI Key:
OCESHIJYWOFTKP-CYBMUJFWSA-N
SMILES:
Fc1ccc(cc1)O[C@@H]1CCN(C1)C(=O)OC(C)(C)C
Properties
Complexity:
335
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
281.143g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
281.327g/mol
Monoisotopic Mass:
281.143g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
38.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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