Cas no 133391-68-1 (1-Fluoro-5-nitro-2,4-bis(trifluoromethyl)benzene)
133391-68-1 structure
Product Name:1-Fluoro-5-nitro-2,4-bis(trifluoromethyl)benzene
CAS No:133391-68-1
MF:C8H2F7NO2
MW:277.095806598663
CID:2904231
PubChem ID:15103057
Update Time:2025-04-21
1-Fluoro-5-nitro-2,4-bis(trifluoromethyl)benzene Chemical and Physical Properties
Names and Identifiers
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- 1-Fluoro-5-nitro-2,4-bis(trifluoromethyl)benzene
- 133391-68-1
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- Inchi： 1S/C8H2F7NO2/c9-5-2-6(16(17)18)4(8(13,14)15)1-3(5)7(10,11)12/h1-2H
- InChI Key： ACTYPMIVTOWYPM-UHFFFAOYSA-N
- SMILES： FC1C=C(C(C(F)(F)F)=CC=1C(F)(F)F)[N+](=O)[O-]
Computed Properties
- Exact Mass: 276.99737544Da
- Monoisotopic Mass: 276.99737544Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 9
- Heavy Atom Count: 18
- Rotatable Bond Count: 0
- Complexity: 321
- 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: 3.6
- Topological Polar Surface Area: 45.8?2
1-Fluoro-5-nitro-2,4-bis(trifluoromethyl)benzene Related Literature
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Tanya Ostapenko,Peter J. Collings,Samuel N. Sprunt,J. T. Gleeson Soft Matter, 2013,9, 9487-9498
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Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
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Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
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Xin Fu,Qing-rong Liang,Rong-guang Luo,Yan-shu Li,Xiao-ping Xiao,Lu-lu Yu,Wen-zhe Shan,Guang-qin Fan J. Mater. Chem. B, 2019,7, 3088-3099
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Yang Chen,Di Zhou,Zheyi Meng,Jin Zhai Chem. Commun., 2016,52, 10020-10023
133391-68-1 (1-Fluoro-5-nitro-2,4-bis(trifluoromethyl)benzene) Related Products
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