Cas no 159092-85-0 (Phenanthrene,3,5,10-trinitro-)
Phenanthrene,3,5,10-trinitro- structure
Product Name:Phenanthrene,3,5,10-trinitro-
CAS No:159092-85-0
MF:C14H7N3O6
MW:313.221883058548
CID:145674
PubChem ID:154736
Update Time:2025-04-19
Phenanthrene,3,5,10-trinitro- Chemical and Physical Properties
Names and Identifiers
-
- Phenanthrene,3,5,10-trinitro-
- 3,5,10-trinitrophenanthrene
- 159092-85-0
- CCRIS 7665
- DTXSID70166581
- UNII-TB8P74HQK3
- TB8P74HQK3
- Phenanthrene, 3,5,10-trinitro-
-
- Inchi： 1S/C14H7N3O6/c18-15(19)9-4-5-10-11(7-9)14-8(6-13(10)17(22)23)2-1-3-12(14)16(20)21/h1-7H
- InChI Key： BNQOLFUBBDCYHU-UHFFFAOYSA-N
- SMILES： [O-][N+](C1C=C2C=CC=C(C2=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: 4.8
- Topological Polar Surface Area: 138?2
Experimental Properties
- PSA: 129.42
Phenanthrene,3,5,10-trinitro- Related Literature
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Luis Miguel Azofra,Douglas R. MacFarlane,Chenghua Sun Chem. Commun., 2016,52, 3548-3551
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Dhamodaran Manikandan,S. Amirthapandian,I. S. Zhidkov,A. I. Kukharenko,S. O. Cholakh,Ramaswamy Murugan Phys. Chem. Chem. Phys., 2018,20, 6500-6514
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Inês S. Albuquerque,Hélia F. Jeremias,Miguel Chaves-Ferreira,Dijana Matak-Vinkovic,Omar Boutureira,Carlos C. Rom?o Chem. Commun., 2015,51, 3993-3996
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Ni-Na Sun,Fengli Qu,Xiaobing Zhang,Shufang Zhang,Jinmao You Analyst, 2015,140, 1827-1831
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