Cas no 61204-10-2 (Benzoic acid, 4,4',4''-(trifluoroethylidyne)tris-)
61204-10-2 structure
Product Name:Benzoic acid, 4,4',4''-(trifluoroethylidyne)tris-
CAS No:61204-10-2
MF:C23H15F3O6
MW:444.356817483902
CID:488542
PubChem ID:20557376
Update Time:2025-04-19
Benzoic acid, 4,4',4''-(trifluoroethylidyne)tris- Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid, 4,4',4''-(trifluoroethylidyne)tris-
- 4-[1,1-bis(4-carboxyphenyl)-2,2,2-trifluoroethyl]benzoic acid
- DUOVAVVQXCSHMI-UHFFFAOYSA-N
- DTXSID40608665
- 61204-10-2
- SCHEMBL11358313
- 4,4',4''-(2,2,2-Trifluoroethane-1,1,1-triyl)tribenzoic acid
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- Inchi： 1S/C23H15F3O6/c24-23(25,26)22(16-7-1-13(2-8-16)19(27)28,17-9-3-14(4-10-17)20(29)30)18-11-5-15(6-12-18)21(31)32/h1-12H,(H,27,28)(H,29,30)(H,31,32)
- InChI Key： DUOVAVVQXCSHMI-UHFFFAOYSA-N
- SMILES： FC(C(C1C=CC(C(=O)O)=CC=1)(C1C=CC(C(=O)O)=CC=1)C1C=CC(C(=O)O)=CC=1)(F)F
Computed Properties
- Exact Mass: 444.08205
- Monoisotopic Mass: 444.08207268g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 9
- Heavy Atom Count: 32
- Rotatable Bond Count: 6
- Complexity: 613
- 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: 5
- Topological Polar Surface Area: 112?2
Experimental Properties
- PSA: 111.9
Benzoic acid, 4,4',4''-(trifluoroethylidyne)tris- Related Literature
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Xinyi Liu,Huan Chen,Jing Lin,Yi Li,Liangqia Guo Chem. Commun., 2019,55, 2972-2975
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3. Estimating and correcting interference fringes in infrared spectra in infrared hyperspectral imagingGhazal Azarfar,Ebrahim Aboualizadeh,Nicholas M. Walter,Simona Ratti,Camilla Olivieri,Alessandra Norici,Michael Nasse,Achim Kohler,Mario Giordano Analyst, 2018,143, 4674-4683
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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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Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
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