Cas no 159092-78-1 (Phenanthrene,1,6,9-trinitro-)
Phenanthrene,1,6,9-trinitro- structure
Product Name:Phenanthrene,1,6,9-trinitro-
CAS No:159092-78-1
MF:C14H7N3O6
MW:313.221883058548
CID:198661
PubChem ID:154731
Update Time:2025-04-19
Phenanthrene,1,6,9-trinitro- Chemical and Physical Properties
Names and Identifiers
-
- Phenanthrene,1,6,9-trinitro-
- 1,6,9-trinitrophenanthrene
- CCRIS 7661
- C5B4UL5AND
- 159092-78-1
- DTXSID30936045
- Phenanthrene, 1,6,9-trinitro-
-
- Inchi： 1S/C14H7N3O6/c18-15(19)8-4-5-10-11(6-8)9-2-1-3-13(16(20)21)12(9)7-14(10)17(22)23/h1-7H
- InChI Key： BCKOIBYTKJYKEL-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,1,6,9-trinitro- Related Literature
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Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
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Saeideh Mirfakhraei,Malak Hekmati,Fereshteh Hosseini Eshbala,Hojat Veisi New J. Chem., 2018,42, 1757-1761
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
-
Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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