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Home > Nitro Compounds > 1920-16-7
1920-16-7 | Diazene, bis(3,5-dinitrophenyl)-, 1-oxide (9CI)
CAS No: 1920-16-7 Catalog No: AG002FL8 MDL No:
Product Description
Catalog Number:
AG002FL8
Chemical Name:
Diazene, bis(3,5-dinitrophenyl)-, 1-oxide (9CI)
CAS Number:
1920-16-7
Molecular Formula:
C12H6N6O9
Molecular Weight:
378.2108
IUPAC Name:
(3,5-dinitrophenyl)-(3,5-dinitrophenyl)imino-oxidoazanium
InChI:
InChI=1S/C12H6N6O9/c19-14(8-3-11(17(24)25)6-12(4-8)18(26)27)13-7-1-9(15(20)21)5-10(2-7)16(22)23/h1-6H
InChI Key:
NAUHLXCUEPDZQO-UHFFFAOYSA-N
SMILES:
[O-][N+](=Nc1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-])c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-]
NSC Number:
106289
Properties
Complexity:
604
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
378.02g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
378.213g/mol
Monoisotopic Mass:
378.02g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
224A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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