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Home > Fluorides > 823197-45-1
823197-45-1 | Piperazine, 1-(methylsulfonyl)-4-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]-
CAS No: 823197-45-1 Catalog No: AG0054NT MDL No:
Product Description
Catalog Number:
AG0054NT
Chemical Name:
Piperazine, 1-(methylsulfonyl)-4-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]-
CAS Number:
823197-45-1
Molecular Formula:
C13H16F4N2O3S
Molecular Weight:
356.3364
IUPAC Name:
1-methylsulfonyl-4-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]piperazine
InChI:
InChI=1S/C13H16F4N2O3S/c1-23(20,21)19-8-6-18(7-9-19)10-2-4-11(5-3-10)22-13(16,17)12(14)15/h2-5,12H,6-9H2,1H3
InChI Key:
MRXVLSQOQDZEAV-UHFFFAOYSA-N
SMILES:
FC(C(Oc1ccc(cc1)N1CCN(CC1)S(=O)(=O)C)(F)F)F
Properties
Complexity:
482
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
356.082g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
356.336g/mol
Monoisotopic Mass:
356.082g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
58.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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