Cas no 35480-51-4 (Benzoic acid, 2,4-bis(2,2,2-trifluoroethoxy)-)
35480-51-4 structure
Product Name:Benzoic acid, 2,4-bis(2,2,2-trifluoroethoxy)-
CAS No:35480-51-4
MF:C11H8F6O4
MW:318.169244766235
CID:1470630
PubChem ID:85789792
Update Time:2025-04-20
Benzoic acid, 2,4-bis(2,2,2-trifluoroethoxy)- Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid, 2,4-bis(2,2,2-trifluoroethoxy)-
- 2,4-bis(2,2,2-trifluoroethoxy)benzoic acid
- 35480-51-4
- 4YE473YKW8
-
- Inchi： 1S/C11H8F6O4/c12-10(13,14)4-20-6-1-2-7(9(18)19)8(3-6)21-5-11(15,16)17/h1-3H,4-5H2,(H,18,19)
- InChI Key： KROASUAOLZGBOB-UHFFFAOYSA-N
- SMILES： FC(COC1C=C(C=CC=1C(=O)O)OCC(F)(F)F)(F)F
Computed Properties
- Exact Mass: 318.03264
- Monoisotopic Mass: 318.03267770g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 10
- Heavy Atom Count: 21
- Rotatable Bond Count: 5
- Complexity: 354
- 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: 3.5
- Topological Polar Surface Area: 55.8?2
Experimental Properties
- PSA: 55.76
Benzoic acid, 2,4-bis(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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Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
35480-51-4 (Benzoic acid, 2,4-bis(2,2,2-trifluoroethoxy)-) Related Products
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