Cas no 143029-87-2 (Benzene, 1,3-bis[3-nitro-5-(trifluoromethyl)phenoxy]-5-(trifluoromethyl)-)
![Benzene, 1,3-bis[3-nitro-5-(trifluoromethyl)phenoxy]-5-(trifluoromethyl)- structure](https://ossimg.kuujia.com/scimg/143500/143029-87-2x500.png)
143029-87-2 structure
Product Name:Benzene, 1,3-bis[3-nitro-5-(trifluoromethyl)phenoxy]-5-(trifluoromethyl)-
CAS No:143029-87-2
MF:C21H9F9N2O6
MW:556.291597127914
CID:1312757
PubChem ID:71344578
Update Time:2025-04-20
Benzene, 1,3-bis[3-nitro-5-(trifluoromethyl)phenoxy]-5-(trifluoromethyl)- Chemical and Physical Properties
Names and Identifiers
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- Benzene, 1,3-bis[3-nitro-5-(trifluoromethyl)phenoxy]-5-(trifluoromethyl)-
- 1-nitro-3-[3-[3-nitro-5-(trifluoromethyl)phenoxy]-5-(trifluoromethyl)phenoxy]-5-(trifluoromethyl)benzene
- 143029-87-2
- DTXSID60770974
- 1,1'-{[5-(Trifluoromethyl)-1,3-phenylene]bis(oxy)}bis[3-nitro-5-(trifluoromethyl)benzene]
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- Inchi： 1S/C21H9F9N2O6/c22-19(23,24)10-1-13(31(33)34)7-15(3-10)37-17-5-12(21(28,29)30)6-18(9-17)38-16-4-11(20(25,26)27)2-14(8-16)32(35)36/h1-9H
- InChI Key： UVQAQJXVXYELAM-UHFFFAOYSA-N
- SMILES： FC(C1C=C(C=C(C=1)OC1=CC(=CC(C(F)(F)F)=C1)[N+](=O)[O-])OC1=CC(=CC(C(F)(F)F)=C1)[N+](=O)[O-])(F)F
Computed Properties
- Exact Mass: 556.03167
- Monoisotopic Mass: 556.03168947g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 15
- Heavy Atom Count: 38
- Rotatable Bond Count: 4
- Complexity: 782
- 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: 7.3
- Topological Polar Surface Area: 110?2
Experimental Properties
- PSA: 104.74
Benzene, 1,3-bis[3-nitro-5-(trifluoromethyl)phenoxy]-5-(trifluoromethyl)- Related Literature
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Juan J. Sánchez,Miguel López-Haro,Juan C. Hernández-Garrido,Ginesa Blanco,Miguel A. Cauqui,José M. Rodríguez-Izquierdo,José A. Pérez-Omil,José J. Calvino,María P. Yeste J. Mater. Chem. A, 2019,7, 8993-9003
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Quan Xiang,Yiqin Chen,Zhiqin Li,Kaixi Bi,Guanhua Zhang,Huigao Duan Nanoscale, 2016,8, 19541-19550
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Kaiyuan Huang,Wangkang Qiu,Meilian Ou,Xiaorui Liu,Zenan Liao,Sheng Chu RSC Adv., 2020,10, 18824-18829
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Alvin Tanudjaja,Shinsuke Inagi,Fusao Kitamura,Toshikazu Takata,Ikuyoshi Tomita Dalton Trans., 2021,50, 3037-3043
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Yang Chen,Di Zhou,Zheyi Meng,Jin Zhai Chem. Commun., 2016,52, 10020-10023
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