Cas no 58956-75-5 (2,3,4,5,6-Pentakis(trifluoromethyl)benzoic acid)
58956-75-5 structure
Product Name:2,3,4,5,6-Pentakis(trifluoromethyl)benzoic acid
CAS No:58956-75-5
MF:C12HF15O2
MW:462.111196279526
CID:2619458
Update Time:2023-08-07
2,3,4,5,6-Pentakis(trifluoromethyl)benzoic acid Chemical and Physical Properties
Names and Identifiers
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- 2,3,4,5,6-pentakis(trifluoromethyl) benzoic acid
- 2,3,4,5,6-Pentakis(trifluoromethyl)benzoic acid
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- Inchi： 1S/C12HF15O2/c13-8(14,15)2-1(7(28)29)3(9(16,17)18)5(11(22,23)24)6(12(25,26)27)4(2)10(19,20)21/h(H,28,29)
- InChI Key： SDFQBQNTMZDSJQ-UHFFFAOYSA-N
- SMILES： FC(C1C(C(F)(F)F)=C(C(F)(F)F)C(C(=O)O)=C(C(F)(F)F)C=1C(F)(F)F)(F)F
Computed Properties
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 17
- Heavy Atom Count: 29
- Rotatable Bond Count: 1
- Complexity: 567
- Topological Polar Surface Area: 37.3
2,3,4,5,6-Pentakis(trifluoromethyl)benzoic acid Related Literature
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Chen-Yu Chien,Sheng-Sheng Yu Chem. Commun., 2020,56, 11949-11952
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Eléonore Resongles,Corinne Casiot,Fran?oise Elbaz-Poulichet,Rémi Freydier,Odile Bruneel,Christine Piot,Sophie Delpoux,Aurélie Volant,Angélique Desoeuvre Environ. Sci.: Processes Impacts, 2013,15, 1536-1544
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Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
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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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Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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