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Home > Fluorides > 823197-30-4
823197-30-4 | Piperazine, 1-(methylsulfonyl)-4-[5-(2,2,2-trifluoroethoxy)-2-pyrimidinyl]-
CAS No: 823197-30-4 Catalog No: AG0054NU MDL No:
Product Description
Catalog Number:
AG0054NU
Chemical Name:
Piperazine, 1-(methylsulfonyl)-4-[5-(2,2,2-trifluoroethoxy)-2-pyrimidinyl]-
CAS Number:
823197-30-4
Molecular Formula:
C11H15F3N4O3S
Molecular Weight:
340.3220
IUPAC Name:
2-(4-methylsulfonylpiperazin-1-yl)-5-(2,2,2-trifluoroethoxy)pyrimidine
InChI:
InChI=1S/C11H15F3N4O3S/c1-22(19,20)18-4-2-17(3-5-18)10-15-6-9(7-16-10)21-8-11(12,13)14/h6-7H,2-5,8H2,1H3
InChI Key:
HFZBPVVLGMKIOH-UHFFFAOYSA-N
SMILES:
FC(COc1cnc(nc1)N1CCN(CC1)S(=O)(=O)C)(F)F
Properties
Complexity:
452
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
340.082g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
340.321g/mol
Monoisotopic Mass:
340.082g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
84A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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