Cas no 52912-66-0 (Naphthalene, 2,6-dimethyl-, compd. with 1,3,5-trinitrobenzene (1:1))
52912-66-0 structure
Product Name:Naphthalene, 2,6-dimethyl-, compd. with 1,3,5-trinitrobenzene (1:1)
CAS No:52912-66-0
MF:C18H15N3O6
MW:369.328204393387
CID:358488
PubChem ID:71365452
Update Time:2025-04-19
Naphthalene, 2,6-dimethyl-, compd. with 1,3,5-trinitrobenzene (1:1) Chemical and Physical Properties
Names and Identifiers
-
- Naphthalene, 2,6-dimethyl-, compd. with 1,3,5-trinitrobenzene (1:1)
- 2,6-dimethylnaphthalene,1,3,5-trinitrobenzene
- DTXSID70788868
- 2,6-Dimethylnaphthalene--1,3,5-trinitrobenzene (1/1)
- 52912-66-0
-
- Inchi： 1S/C12H12.C6H3N3O6/c1-9-3-5-12-8-10(2)4-6-11(12)7-9;10-7(11)4-1-5(8(12)13)3-6(2-4)9(14)15/h3-8H,1-2H3;1-3H
- InChI Key： FODYLUOILIMDFC-UHFFFAOYSA-N
- SMILES： [O-][N+](C1C=C(C=C(C=1)[N+](=O)[O-])[N+](=O)[O-])=O.C12C=CC(C)=CC1=CC=C(C)C=2
Computed Properties
- Exact Mass: 369.09615
- Monoisotopic Mass: 369.09608521g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 27
- Rotatable Bond Count: 0
- Complexity: 361
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 138?2
Experimental Properties
- PSA: 129.42
Naphthalene, 2,6-dimethyl-, compd. with 1,3,5-trinitrobenzene (1:1) Related Literature
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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4. Fe3O4/Au/Fe3O4 nanoflowers exhibiting tunable saturation magnetization and enhanced bioconjugationFeng Shi,Kunping Yan,Mingli Peng,Xiao Cheng,Yanling Luo,Xuemei Chen,V. A. L. Roy,Zuankai Wang Nanoscale, 2012,4, 747-751
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Amit Kumar Majhi,Subbarao Kanchi,V. Venkataraman,K. G. Ayappa,Prabal K. Maiti Soft Matter, 2015,11, 8632-8640
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