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2-(5-chlorothiophen-2-yl)-6-fluoro-3H-imidazo[2,1-b][1,,3]benzothiazo

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摘 要: 2-(5-chlorothiophen-2-yl)-6-fluoro-3H-imidazo[2,1-b][1,,3]benzothiazol-9-ium,Canonical SMILES: C1=CC2=C(C=C1F)SC3=[N+]2C=C(N3)C4=CC=C(S4)Cl,InChI: InChI=1/C13H6ClFN2S2/c14-12-4-3-10(18-12)8-6-17-9-2-1-7(15)5-11(9)19-13,(17)16-8/h1-6H/p+1/fC13H7ClFN2
[Synonyms]

[Structure]
 2-(5-chlorothiophen-2-yl)-6-fluoro-3H-imidazo[2,1-b][1,,3]benzothiazo

[ Properties Computed from Structure]
Molecular Weight309.789483 [g/mol]
Molecular FormulaC13H7ClFN2S2+
XLogP7.174
H-Bond Donor1
H-Bond Acceptor2
Rotatable Bond Count1
Tautomer Count2
Exact Mass308.972321
MonoIsotopic Mass308.972321
Topological Polar Surface Area19.9
Heavy Atom Count19
Formal Charge1
Complexity362
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-(5-chlorothiophen-2-yl)-6-fluoro-3H-imidazo[2,1-b][1,
3]benzothiazol-9-ium
Canonical SMILES: C1=CC2=C(C=C1F)SC3=[N+]2C=C(N3)C4=CC=C(S4)Cl
InChI: InChI=1/C13H6ClFN2S2/c14-12-4-3-10(18-12)8-6-17-9-2-1-7(15)5-11(9)19-13
(17)16-8/h1-6H/p+1/fC13H7ClFN2S2/h16H/q+1

 
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