Cas no 35480-56-9 (Benzoic acid, 2,4,6-tris(2,2,2-trifluoroethoxy)-)
35480-56-9 structure
Product Name:Benzoic acid, 2,4,6-tris(2,2,2-trifluoroethoxy)-
CAS No:35480-56-9
MF:C13H9F9O5
MW:416.193196058273
CID:1470634
PubChem ID:85789800
Update Time:2025-04-20
Benzoic acid, 2,4,6-tris(2,2,2-trifluoroethoxy)- Chemical and Physical Properties
Names and Identifiers
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- Benzoic acid, 2,4,6-tris(2,2,2-trifluoroethoxy)-
- 35480-56-9
- DTXSID801250492
- 2,4,6-Tris(2,2,2-trifluoroethoxy)benzoic acid
-
- Inchi： 1S/C13H9F9O5/c14-11(15,16)3-25-6-1-7(26-4-12(17,18)19)9(10(23)24)8(2-6)27-5-13(20,21)22/h1-2H,3-5H2,(H,23,24)
- InChI Key： AKOHPVPAQGEGGJ-UHFFFAOYSA-N
- SMILES： FC(COC1C=C(C=C(C=1C(=O)O)OCC(F)(F)F)OCC(F)(F)F)(F)F
Computed Properties
- Exact Mass: 416.03057
- Monoisotopic Mass: 416.03062684g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 14
- Heavy Atom Count: 27
- Rotatable Bond Count: 7
- Complexity: 460
- 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: 4.7
- Topological Polar Surface Area: 65?2
Experimental Properties
- PSA: 64.99
Benzoic acid, 2,4,6-tris(2,2,2-trifluoroethoxy)- Related Literature
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
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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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Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
35480-56-9 (Benzoic acid, 2,4,6-tris(2,2,2-trifluoroethoxy)-) Related Products
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