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113423-71-5

113423-71-5 | 2,6-Piperidinedione, 3-ethyl-3-(2,3,4,5,6-pentafluorophenyl)-

CAS No: 113423-71-5 Catalog No: AG0008JA MDL No:

Product Description

Catalog Number:
AG0008JA
Chemical Name:
2,6-Piperidinedione, 3-ethyl-3-(2,3,4,5,6-pentafluorophenyl)-
CAS Number:
113423-71-5
Molecular Formula:
C13H10F5NO2
Molecular Weight:
307.2160
IUPAC Name:
3-ethyl-3-(2,3,4,5,6-pentafluorophenyl)piperidine-2,6-dione
InChI:
InChI=1S/C13H10F5NO2/c1-2-13(4-3-5(20)19-12(13)21)6-7(14)9(16)11(18)10(17)8(6)15/h2-4H2,1H3,(H,19,20,21)
InChI Key:
FPKQJJGQIBFBBH-UHFFFAOYSA-N
SMILES:
CCC1(CCC(=O)NC1=O)c1c(F)c(F)c(c(c1F)F)F

Properties

Complexity:
432  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
307.063g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
307.22g/mol
Monoisotopic Mass:
307.063g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
46.2A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  

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