Cas no 1804888-53-6 (2,5-Bis(trifluoromethyl)-4-fluoroaniline)
1804888-53-6 structure
Product Name:2,5-Bis(trifluoromethyl)-4-fluoroaniline
CAS No:1804888-53-6
MF:C8H4F7N
MW:247.112886428833
CID:4706452
Update Time:2023-08-15
2,5-Bis(trifluoromethyl)-4-fluoroaniline Chemical and Physical Properties
Names and Identifiers
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- 2,5-Bis(trifluoromethyl)-4-fluoroaniline
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- Inchi： 1S/C8H4F7N/c9-5-1-4(8(13,14)15)6(16)2-3(5)7(10,11)12/h1-2H,16H2
- InChI Key： BIWVEZKGUXOATR-UHFFFAOYSA-N
- SMILES： FC1=CC(C(F)(F)F)=C(C=C1C(F)(F)F)N
Computed Properties
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 8
- Heavy Atom Count: 16
- Rotatable Bond Count: 0
- Complexity: 246
- Topological Polar Surface Area: 26
2,5-Bis(trifluoromethyl)-4-fluoroaniline Related Literature
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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