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853577-87-4 | 1-Pyrrolidinecarboxylicacid, 3-[(4-fluorophenyl)amino]-, 1,1-dimethylethyl ester
CAS No: 853577-87-4 Catalog No: AG004OZC MDL No:
Product Description
Catalog Number:
AG004OZC
Chemical Name:
1-Pyrrolidinecarboxylicacid, 3-[(4-fluorophenyl)amino]-, 1,1-dimethylethyl ester
CAS Number:
853577-87-4
Molecular Formula:
C15H21FN2O2
Molecular Weight:
280.3378
IUPAC Name:
tert-butyl 3-(4-fluoroanilino)pyrrolidine-1-carboxylate
InChI:
InChI=1S/C15H21FN2O2/c1-15(2,3)20-14(19)18-9-8-13(10-18)17-12-6-4-11(16)5-7-12/h4-7,13,17H,8-10H2,1-3H3
InChI Key:
PKMHDLLPVLBLAY-UHFFFAOYSA-N
SMILES:
Fc1ccc(cc1)NC1CCN(C1)C(=O)OC(C)(C)C
Properties
Complexity:
335
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
280.159g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
280.343g/mol
Monoisotopic Mass:
280.159g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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