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88140-47-0

88140-47-0 | Diazene, bis(2-azido-3,5-dinitrophenyl)-, 1-oxide

CAS No: 88140-47-0 Catalog No: AG004F2A MDL No:

Product Description

Catalog Number:
AG004F2A
Chemical Name:
Diazene, bis(2-azido-3,5-dinitrophenyl)-, 1-oxide
CAS Number:
88140-47-0
Molecular Formula:
C12H4N12O9
Molecular Weight:
460.2352
IUPAC Name:
(2-azido-3,5-dinitrophenyl)-(2-azido-3,5-dinitrophenyl)imino-oxidoazanium
InChI:
InChI=1S/C12H4N12O9/c13-18-15-11-7(1-5(21(26)27)3-9(11)23(30)31)17-20(25)8-2-6(22(28)29)4-10(24(32)33)12(8)16-19-14/h1-4H
InChI Key:
YXAPHRBUZIZYSN-UHFFFAOYSA-N
SMILES:
[N-]=[N+]=Nc1c(N=[N+](c2cc(cc(c2N=[N+]=[N-])[N+](=O)[O-])[N+](=O)[O-])[O-])cc(cc1[N+](=O)[O-])[N+](=O)[O-]

Properties

Complexity:
938  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
460.022g/mol
Formal Charge:
0
Heavy Atom Count:
33  
Hydrogen Bond Acceptor Count:
14  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
460.239g/mol
Monoisotopic Mass:
460.022g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
253A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3  

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