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BAS 05017373,2-(2-Fluoro-phenoxy)-1-(4-methyl-piperazin-1-yl)-ethanone

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摘 要:BAS 05017373,2-(2-Fluoro-phenoxy)-1-(4-methyl-piperazin-1-yl)-ethanone, 2-(2-fluorophenoxy)-1-(4-methylpiperazin-1-yl)ethanone,Canonical SMILES: CN1CCN(CC1)C(=O)COC2=CC=CC=C2F,InChI: InChI=1/C13H17FN2O2/c1-15-6-8-16(9-7-15)13(17)10-18-12-5-3-2-4-11(1
[Synonyms]
BAS 05017373
2-(2-Fluoro-phenoxy)-1-(4-methyl-piperazin-1-yl)-ethanone

[Structure]
BAS 05017373,2-(2-Fluoro-phenoxy)-1-(4-methyl-piperazin-1-yl)-ethanone

[ Properties Computed from Structure]
Molecular Weight252.284683 [g/mol]
Molecular FormulaC13H17FN2O2
XLogP1.1
H-Bond Donor0
H-Bond Acceptor4
Rotatable Bond Count3
Exact Mass252.127406
MonoIsotopic Mass252.127406
Topological Polar Surface Area32.8
Heavy Atom Count18
Formal Charge0
Complexity280
Isotope Atom Count0
Defined Atom StereoCenter Count0
Undefined Atom StereoCenter Count0
Defined Bond StereoCenter Count0
Undefined Bond StereoCenter Count0
Covalently-Bonded Unit Count1

[ Descriptors Computed from Structure]
IUPAC Name: 2-(2-fluorophenoxy)-1-(4-methylpiperazin-1-yl)ethanone
Canonical SMILES: CN1CCN(CC1)C(=O)COC2=CC=CC=C2F
InChI: InChI=1/C13H17FN2O2/c1-15-6-8-16(9-7-15)13(17)10-18-12-5-3-2-4-11(12)14/
h2-5H,6-10H2,1H3

 
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