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Home > Fluorides > 823197-38-2
823197-38-2 | Piperazine, 1-(methylsulfonyl)-4-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]-
CAS No: 823197-38-2 Catalog No: AG004ZBP MDL No:
Product Description
Catalog Number:
AG004ZBP
Chemical Name:
Piperazine, 1-(methylsulfonyl)-4-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]-
CAS Number:
823197-38-2
Molecular Formula:
C12H16F3N3O3S
Molecular Weight:
339.3339
IUPAC Name:
1-methylsulfonyl-4-[5-(2,2,2-trifluoroethoxy)pyridin-2-yl]piperazine
InChI:
InChI=1S/C12H16F3N3O3S/c1-22(19,20)18-6-4-17(5-7-18)11-3-2-10(8-16-11)21-9-12(13,14)15/h2-3,8H,4-7,9H2,1H3
InChI Key:
JBIAERBTBBIATH-UHFFFAOYSA-N
SMILES:
FC(COc1ccc(nc1)N1CCN(CC1)S(=O)(=O)C)(F)F
Properties
Complexity:
459
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
339.086g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
339.333g/mol
Monoisotopic Mass:
339.086g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
71.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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