Cas no 159092-76-9 (Phenanthrene,1,5,9-trinitro-)
Phenanthrene,1,5,9-trinitro- structure
Product Name:Phenanthrene,1,5,9-trinitro-
CAS No:159092-76-9
MF:C14H7N3O6
MW:313.221883058548
CID:183926
PubChem ID:154729
Update Time:2025-04-19
Phenanthrene,1,5,9-trinitro- Chemical and Physical Properties
Names and Identifiers
-
- Phenanthrene,1,5,9-trinitro-
- 1,5,9-trinitrophenanthrene
- DTXSID20166576
- Phenanthrene, 1,5,9-trinitro-
- 159092-76-9
- CCRIS 7659
-
- Inchi： 1S/C14H7N3O6/c18-15(19)11-5-1-3-8-10(11)7-13(17(22)23)9-4-2-6-12(14(8)9)16(20)21/h1-7H
- InChI Key： PFYFEUSZBPMQEP-UHFFFAOYSA-N
- SMILES： [O-][N+](C1C=C2C(=CC=CC2=C2C(=CC=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: 3.7
- Topological Polar Surface Area: 138?2
Experimental Properties
- PSA: 129.42
Phenanthrene,1,5,9-trinitro- Related Literature
-
Denis V. Korchagin,Elena A. Yureva,Alexander V. Akimov,Eugenii Ya. Misochko,Gennady V. Shilov,Artem D. Talantsev,Roman B. Morgunov,Alexander A. Shakin,Sergey M. Aldoshin,Boris S. Tsukerblat Dalton Trans., 2017,46, 7540-7548
-
Chen-Yu Chien,Sheng-Sheng Yu Chem. Commun., 2020,56, 11949-11952
-
Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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