Cas no 159092-84-9 (Phenanthrene,3,6,9-trinitro-)
Phenanthrene,3,6,9-trinitro- structure
Product Name:Phenanthrene,3,6,9-trinitro-
CAS No:159092-84-9
MF:C14H7N3O6
MW:313.221883058548
CID:189759
PubChem ID:154735
Update Time:2025-04-19
Phenanthrene,3,6,9-trinitro- Chemical and Physical Properties
Names and Identifiers
-
- Phenanthrene,3,6,9-trinitro-
- 3,6,9-trinitrophenanthrene
- CCRIS 7666
- DTXSID10166580
- 159092-84-9
- Phenanthrene, 3,6,9-trinitro-
-
- Inchi： 1S/C14H7N3O6/c18-15(19)9-2-1-8-5-14(17(22)23)11-4-3-10(16(20)21)7-13(11)12(8)6-9/h1-7H
- InChI Key： WDGIWHCVUOLSME-UHFFFAOYSA-N
- SMILES： [O-][N+](C1C=C2C=CC(=CC2=C2C=C(C=CC2=1)[N+](=O)[O-])[N+](=O)[O-])=O
Computed Properties
- Exact Mass: 313.03351
- Monoisotopic Mass: 313.03348495g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 23
- Rotatable Bond Count: 0
- Complexity: 510
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.9
- Topological Polar Surface Area: 138?2
Experimental Properties
- PSA: 129.42
Phenanthrene,3,6,9-trinitro- Related Literature
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Christian K. Rank,Alexander W. Jones,Tatjana Wall,Patrick Di Martino-Fumo,Sarah Schr?ck,Markus Gerhards,Frederic W. Patureau Chem. Commun., 2019,55, 13749-13752
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Adeline Huiling Loo,Alessandra Bonanni,Martin Pumera Analyst, 2013,138, 467-471
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Hamid Heydari,Mohammad B. Gholivand New J. Chem., 2017,41, 237-244
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Xin Fu,Qing-rong Liang,Rong-guang Luo,Yan-shu Li,Xiao-ping Xiao,Lu-lu Yu,Wen-zhe Shan,Guang-qin Fan J. Mater. Chem. B, 2019,7, 3088-3099
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Li-Hua Gan,Rui Wu,Jian-Lei Tian,Patrick W. Fowler Phys. Chem. Chem. Phys., 2017,19, 419-425
159092-84-9 (Phenanthrene,3,6,9-trinitro-) Related Products
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- 111438-94-9(Dibenzo[def,mno]chrysene,6-nitro-)
- 776-34-1(4-Nitro-1-naphthylamine)
- 332062-08-5(Fmoc-S-3-amino-4,4-diphenyl-butyric acid)
- 1270529-38-8(1,2,3,4,5,6-Hexahydro-[2,3]bipyridinyl-6-ol)
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