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NSC173924 4-pyridin-4-ylpyridine; trichloro-methylstannane,Canonical S

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摘 要:NSC173924 4-pyridin-4-ylpyridine; trichloro-methylstannane,Canonical SMILES: C[Sn](Cl)(Cl)Cl.C1=CN=CC=C1C2=CC=NC=C2,InChI: InChI=1/C10H8N2.CH3.3ClH.Sn/c1-5-11-6-2-9(1)10-3-7-12-8-4-10;;;;;/h1-8H;,1H3;3*1H;/q;;;;;+3/p-3/fC10H8N2.CH3.3Cl.Sn/h;;3*1h;/q;
[Synonyms]
NSC173924
[Structure]
NSC173924 4-pyridin-4-ylpyridine; trichloro-methylstannane,Canonical S

[ Properties Computed from Structure]
Molecular Weight396.28744 [g/mol]
Molecular FormulaC11H11Cl3N2Sn
H-Bond Donor0
H-Bond Acceptor2
Rotatable Bond Count1
Exact Mass395.900978
MonoIsotopic Mass395.900978
Topological Polar Surface Area25.8
Heavy Atom Count17
Formal Charge0
Complexity136
Isotope Atom Count0
Defined Atom StereoCenter Count0
Undefined Atom StereoCenter Count0
Defined Bond StereoCenter Count0
Undefined Bond StereoCenter Count0
Covalently-Bonded Unit Count2

[ Descriptors Computed from Structure]
IUPAC Name: 4-pyridin-4-ylpyridine; trichloro-methylstannane
Canonical SMILES: C[Sn](Cl)(Cl)Cl.C1=CN=CC=C1C2=CC=NC=C2
InChI: InChI=1/C10H8N2.CH3.3ClH.Sn/c1-5-11-6-2-9(1)10-3-7-12-8-4-10;;;;;/h1-8H;
1H3;3*1H;/q;;;;;+3/p-3/fC10H8N2.CH3.3Cl.Sn/h;;3*1h;/q;;3*-1;m/rC10H8N2.
CH3Cl3Sn/c1-5-11-6-2-9(1)10-3-7-12-8-4-10;1-5(2,3)4/h1-8H;1H3

 
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