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1233860-33-7 | 1-Pyrrolidinecarboxylic acid, 3-(2-fluoro-6-nitrophenoxy)-, 1,1-dimethylethyl ester, (3S)-
CAS No: 1233860-33-7 Catalog No: AG000KGR MDL No:MFCD17014079
Product Description
Catalog Number:
AG000KGR
Chemical Name:
1-Pyrrolidinecarboxylic acid, 3-(2-fluoro-6-nitrophenoxy)-, 1,1-dimethylethyl ester, (3S)-
CAS Number:
1233860-33-7
Molecular Formula:
C15H19FN2O5
Molecular Weight:
326.3202
MDL Number:
MFCD17014079
IUPAC Name:
tert-butyl (3S)-3-(2-fluoro-6-nitrophenoxy)pyrrolidine-1-carboxylate
InChI:
InChI=1S/C15H19FN2O5/c1-15(2,3)23-14(19)17-8-7-10(9-17)22-13-11(16)5-4-6-12(13)18(20)21/h4-6,10H,7-9H2,1-3H3/t10-/m0/s1
InChI Key:
MHOIEGRSORTDPW-JTQLQIEISA-N
SMILES:
O=C(N1CC[C@@H](C1)Oc1c(F)cccc1[N+](=O)[O-])OC(C)(C)C
Properties
Complexity:
448
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
326.128g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
326.324g/mol
Monoisotopic Mass:
326.128g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
84.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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