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AIDS166941,Ether, 2,4-dinitrophenyl p-tolyl,AIDS-166941,2,4-Dinitro-1-

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摘 要:AIDS166941,Ether, 2,4-dinitrophenyl p-tolyl,AIDS-166941,2,4-Dinitro-1-(p-tolyloxy)benzene,NSC404160,ZINC01597099,1-(4-Methylphenoxy)-2,4-dinitrobenzene,2363-25-9, 1-(4-methylphenoxy)-2,4-dinitrobenzene,Canonical SMILES: CC1=CC=C(C=C1)OC2=C(C=C(C=C2)[
[Synonyms]
AIDS166941
Ether, 2,4-dinitrophenyl p-tolyl
AIDS-166941
2,4-Dinitro-1-(p-tolyloxy)benzene
NSC404160
ZINC01597099
1-(4-Methylphenoxy)-2,4-dinitrobenzene
2363-25-9

[Structure]
AIDS166941,Ether, 2,4-dinitrophenyl p-tolyl,AIDS-166941,2,4-Dinitro-1-

[ Properties Computed from Structure]
Molecular Weight274.2289 [g/mol]
Molecular FormulaC13H10N2O5
XLogP3.7
H-Bond Donor0
H-Bond Acceptor5
Rotatable Bond Count2
Exact Mass274.058971
MonoIsotopic Mass274.058971
Topological Polar Surface Area95.5
Heavy Atom Count20
Formal Charge0
Complexity357
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: 1-(4-methylphenoxy)-2,4-dinitrobenzene
Canonical SMILES: CC1=CC=C(C=C1)OC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]
InChI: InChI=1/C13H10N2O5/c1-9-2-5-11(6-3-9)20-13-7-4-10(14(16)17)8-12(13)15
(18)19/h2-8H,1H3

 
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