Cas no 57830-56-5 (Benzene, 1-nitro-3,5-bis[(trifluoromethyl)sulfonyl]-)
![Benzene, 1-nitro-3,5-bis[(trifluoromethyl)sulfonyl]- structure](https://ossimg.kuujia.com/scimg/58000/57830-56-5x500.png)
57830-56-5 structure
Product Name:Benzene, 1-nitro-3,5-bis[(trifluoromethyl)sulfonyl]-
CAS No:57830-56-5
MF:C8H3F6NO6S2
MW:387.232940912247
CID:1607348
PubChem ID:1391563
Update Time:2025-04-21
Benzene, 1-nitro-3,5-bis[(trifluoromethyl)sulfonyl]- Chemical and Physical Properties
Names and Identifiers
-
- Benzene, 1-nitro-3,5-bis[(trifluoromethyl)sulfonyl]-
- 1-nitro-3,5-bis(trifluoromethylsulfonyl)benzene
- AKOS002306214
- DTXSID10362601
- 57830-56-5
-
- Inchi： 1S/C8H3F6NO6S2/c9-7(10,11)22(18,19)5-1-4(15(16)17)2-6(3-5)23(20,21)8(12,13)14/h1-3H
- InChI Key： SSTRHASEQLFCGE-UHFFFAOYSA-N
- SMILES： S(C(F)(F)F)(C1C=C(C=C(C=1)S(C(F)(F)F)(=O)=O)[N+](=O)[O-])(=O)=O
Computed Properties
- Exact Mass: 386.93059
- Monoisotopic Mass: 386.93059814g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 12
- Heavy Atom Count: 23
- Rotatable Bond Count: 2
- Complexity: 612
- 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: 2.6
- Topological Polar Surface Area: 131?2
Experimental Properties
- PSA: 111.42
Benzene, 1-nitro-3,5-bis[(trifluoromethyl)sulfonyl]- Related Literature
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Marta Liras,Isabel Quijada-Garrido,Marta Palacios-Cuesta,Sonia Mu?oz-Durieux,Olga García Polym. Chem., 2014,5, 433-442
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Hamid Heydari,Mohammad B. Gholivand New J. Chem., 2017,41, 237-244
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Doug Ogrin,Laura H. van Poppel,Simon G. Bott,Andrew R. Barron Dalton Trans., 2004, 3689-3694
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Jieun Kim,Han-Saem Park,Tae-Hee Kim,Sung Yeol Kim,Hyun-Kon Song Phys. Chem. Chem. Phys., 2014,16, 5295-5300
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5. An investigation of the electrochemical delithiation process of carbon coated α-Fe2O3nanoparticlesAdrian Brandt,Florian Winter,Sebastian Klamor,Frank Berkemeier,Jatinkumar Rana,Rainer P?ttgen,Andrea Balducci J. Mater. Chem. A, 2013,1, 11229-11236
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