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AIDS166692,AIDS-166692,NSC404165,Benzene, m-bis(2,4-dinitro-phenoxy)-,

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摘 要:AIDS166692,AIDS-166692,NSC404165,Benzene, m-bis(2,4-dinitro-phenoxy)-,3761-11-3, 1-[3-(2,4-dinitrophenoxy)phenoxy]-2,4-dinitrobenzene,Canonical SMILES: C1=CC(=CC(=C1)OC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])OC3=C(C=C(C=C3),[N+](=O)[O-])[N+](=O)[O-],I
[Synonyms]
AIDS166692
AIDS-166692
NSC404165
Benzene, m-bis(2,4-dinitro-phenoxy)-
3761-11-3

[Structure]
AIDS166692,AIDS-166692,NSC404165,Benzene, m-bis(2,4-dinitro-phenoxy)-,

[ Properties Computed from Structure]
Molecular Weight442.2928 [g/mol]
Molecular FormulaC18H10N4O10
XLogP4.6
H-Bond Donor0
H-Bond Acceptor10
Rotatable Bond Count4
Exact Mass442.039693
MonoIsotopic Mass442.039693
Topological Polar Surface Area191
Heavy Atom Count32
Formal Charge0
Complexity657
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-[3-(2,4-dinitrophenoxy)phenoxy]-2,4-dinitrobenzene
Canonical SMILES: C1=CC(=CC(=C1)OC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])OC3=C(C=C(C=C3)
[N+](=O)[O-])[N+](=O)[O-]
InChI: InChI=1/C18H10N4O10/c23-19(24)11-4-6-17(15(8-11)21(27)28)31-13-2-1-3-14
(10-13)32-18-7-5-12(20(25)26)9-16(18)22(29)30/h1-10H

 
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