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113423-70-4 | 2,6-Piperidinedione, 3-(4-amino-2,3,5,6-tetrafluorophenyl)-3-ethyl-
CAS No: 113423-70-4 Catalog No: AG0008JB MDL No:
Product Description
Catalog Number:
AG0008JB
Chemical Name:
2,6-Piperidinedione, 3-(4-amino-2,3,5,6-tetrafluorophenyl)-3-ethyl-
CAS Number:
113423-70-4
Molecular Formula:
C13H12F4N2O2
Molecular Weight:
304.2402
IUPAC Name:
3-(4-amino-2,3,5,6-tetrafluorophenyl)-3-ethylpiperidine-2,6-dione
InChI:
InChI=1S/C13H12F4N2O2/c1-2-13(4-3-5(20)19-12(13)21)6-7(14)9(16)11(18)10(17)8(6)15/h2-4,18H2,1H3,(H,19,20,21)
InChI Key:
VQMSWWCIWKGHRH-UHFFFAOYSA-N
SMILES:
CCC1(CCC(=O)NC1=O)c1c(F)c(F)c(c(c1F)F)N
NSC Number:
629719
Properties
Complexity:
434
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
304.083g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
304.245g/mol
Monoisotopic Mass:
304.083g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
72.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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