Cas no 22826-61-5 (2,5-Cyclohexadiene-1,4-dione,2,3,5,6-tetraazido-)
22826-61-5 structure
Product Name:2,5-Cyclohexadiene-1,4-dione,2,3,5,6-tetraazido-
CAS No:22826-61-5
MF:C6N12O2
MW:272.143396377563
CID:291459
PubChem ID:90960324
Update Time:2024-03-01
2,5-Cyclohexadiene-1,4-dione,2,3,5,6-tetraazido- Chemical and Physical Properties
Names and Identifiers
-
- 2,5-Cyclohexadiene-1,4-dione,2,3,5,6-tetraazido-
- Azidanil
- p-Benzoquinone,2,3,5,6-tetraazido- (8CI)
- Tetraazido-1,4-benzoquinone
- Tetraazido-p-benzoquinone
- 2,3,5,6-tetraazido-1,4-benzoquinone
- CID 90960324
-
- Inchi： 1S/C6N12O2/c7-15-11-1-2(12-16-8)6(20)4(14-18-10)3(5(1)19)13-17-9
- InChI Key： ZXSNZXKSVFJVBY-UHFFFAOYSA-N
- SMILES： O=C1C(C(C(C(=C1N=[N+]=[N-])N=[N+]=[N-])=O)=NN=[N-])=N[N+]#N
Computed Properties
- Exact Mass: 272.02671729g/mol
- Monoisotopic Mass: 272.02671729g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 11
- Heavy Atom Count: 20
- Rotatable Bond Count: 2
- Complexity: 630
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 2
- Topological Polar Surface Area: 129
- XLogP3: 4.2
Experimental Properties
- Density: 1.4285 (rough estimate)
- Refractive Index: 1.6500 (estimate)
2,5-Cyclohexadiene-1,4-dione,2,3,5,6-tetraazido- Related Literature
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Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
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Chen-Yu Chien,Sheng-Sheng Yu Chem. Commun., 2020,56, 11949-11952
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