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78664-72-9 | 2-Piperidinecarboxylic acid, 6-oxo-, pentafluorophenyl ester, (S)-
CAS No: 78664-72-9 Catalog No: AG005K0G MDL No:
Product Description
Catalog Number:
AG005K0G
Chemical Name:
2-Piperidinecarboxylic acid, 6-oxo-, pentafluorophenyl ester, (S)-
CAS Number:
78664-72-9
Molecular Formula:
C12H8F5NO3
Molecular Weight:
309.1888
IUPAC Name:
(2,3,4,5,6-pentafluorophenyl) (2S)-6-oxopiperidine-2-carboxylate
InChI:
InChI=1S/C12H8F5NO3/c13-6-7(14)9(16)11(10(17)8(6)15)21-12(20)4-2-1-3-5(19)18-4/h4H,1-3H2,(H,18,19)/t4-/m0/s1
InChI Key:
FYJGPXVTARLULP-BYPYZUCNSA-N
SMILES:
O=C([C@@H]1CCCC(=O)N1)Oc1c(F)c(F)c(c(c1F)F)F
Properties
Complexity:
408
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
309.042g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
309.192g/mol
Monoisotopic Mass:
309.042g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
55.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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