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Home > Fluorides > 732245-91-9
732245-91-9 | Piperidine, 1-acetyl-3-(3-fluoro-5-nitrophenoxy)-, (3R)-
CAS No: 732245-91-9 Catalog No: AG005FJQ MDL No:
Product Description
Catalog Number:
AG005FJQ
Chemical Name:
Piperidine, 1-acetyl-3-(3-fluoro-5-nitrophenoxy)-, (3R)-
CAS Number:
732245-91-9
Molecular Formula:
C13H15FN2O4
Molecular Weight:
282.2676
IUPAC Name:
1-[(3R)-3-(3-fluoro-5-nitrophenoxy)piperidin-1-yl]ethanone
InChI:
InChI=1S/C13H15FN2O4/c1-9(17)15-4-2-3-12(8-15)20-13-6-10(14)5-11(7-13)16(18)19/h5-7,12H,2-4,8H2,1H3/t12-/m1/s1
InChI Key:
IDCNMRGSXNYGBE-GFCCVEGCSA-N
SMILES:
Fc1cc(O[C@@H]2CCCN(C2)C(=O)C)cc(c1)[N+](=O)[O-]
Properties
Complexity:
374
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
282.102g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
282.271g/mol
Monoisotopic Mass:
282.102g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
75.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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