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Home > Nitro Compounds > 19159-68-3
19159-68-3 | Diazene, 1,2-bis(2,4,6-trinitrophenyl)-
CAS No: 19159-68-3 Catalog No: AG002FC9 MDL No:
Product Description
Catalog Number:
AG002FC9
Chemical Name:
Diazene, 1,2-bis(2,4,6-trinitrophenyl)-
CAS Number:
19159-68-3
Molecular Formula:
C12H4N8O12
Molecular Weight:
452.2066
IUPAC Name:
bis(2,4,6-trinitrophenyl)diazene
InChI:
InChI=1S/C12H4N8O12/c21-15(22)5-1-7(17(25)26)11(8(2-5)18(27)28)13-14-12-9(19(29)30)3-6(16(23)24)4-10(12)20(31)32/h1-4H
InChI Key:
PSDIVOYKWCKHLG-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(cc(c1N=Nc1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]
EC Number:
242-850-7
Properties
Complexity:
716
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
451.995g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
14
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
452.208g/mol
Monoisotopic Mass:
451.995g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
300A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
Literature
| Title | Journal |
|---|---|
| Substituent effects on the properties related to detonation performance and sensitivity for 2,2',4,4',6,6'-hexanitroazobenzene derivatives. | The journal of physical chemistry. A 20110310 |
| Form III of 2,2',4,4',6,6'-hexanitroazobenzene (HNAB-III). | Acta crystallographica. Section C, Crystal structure communications 20050301 |
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