Cas no 5211-45-0 (Benzoic acid, 4-chloro-2,3,5,6-tetrafluoro-)
5211-45-0 structure
Product Name:Benzoic acid, 4-chloro-2,3,5,6-tetrafluoro-
CAS No:5211-45-0
MF:C7HClF4O2
MW:228.528255224228
CID:360596
PubChem ID:11009727
Update Time:2025-04-19
Benzoic acid, 4-chloro-2,3,5,6-tetrafluoro- Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid, 4-chloro-2,3,5,6-tetrafluoro-
- 4-chloro-2,3,5,6-tetrafluorobenzoic acid
- DTXSID20451772
- 5211-45-0
-
- Inchi： 1S/C7HClF4O2/c8-2-5(11)3(9)1(7(13)14)4(10)6(2)12/h(H,13,14)
- InChI Key： ZFQCNEAYPFEVPZ-UHFFFAOYSA-N
- SMILES： ClC1=C(C(=C(C(=O)O)C(=C1F)F)F)F
Computed Properties
- Exact Mass: 227.96013
- Monoisotopic Mass: 227.9601196g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 14
- Rotatable Bond Count: 1
- Complexity: 224
- 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: 2.5
- Topological Polar Surface Area: 37.3?2
Experimental Properties
- PSA: 37.3
Benzoic acid, 4-chloro-2,3,5,6-tetrafluoro- Related Literature
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Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
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Sowmyalakshmi Venkataraman RSC Adv., 2015,5, 73807-73813
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
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