Cas no 1261907-60-1 (3-(3-Ethoxyphenyl)-5-trifluoromethylbenzoic acid)
1261907-60-1 structure
Product Name:3-(3-Ethoxyphenyl)-5-trifluoromethylbenzoic acid
CAS No:1261907-60-1
MF:C16H13F3O3
MW:310.267835378647
CID:2762675
PubChem ID:53226329
Update Time:2025-04-21
3-(3-Ethoxyphenyl)-5-trifluoromethylbenzoic acid Chemical and Physical Properties
Names and Identifiers
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- DTXSID40690040
- 3'-Ethoxy-5-(trifluoromethyl)[1,1'-biphenyl]-3-carboxylic acid
- SCHEMBL26657558
- 3-(3-Ethoxyphenyl)-5-trifluoromethylbenzoic acid, 95%
- MFCD18320426
- 3-(3-ETHOXYPHENYL)-5-TRIFLUOROMETHYLBENZOIC ACID
- 1261907-60-1
- 3-(3-Ethoxyphenyl)-5-trifluoromethylbenzoic acid
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- Inchi: 1S/C16H13F3O3/c1-2-22-14-5-3-4-10(9-14)11-6-12(15(20)21)8-13(7-11)16(17,18)19/h3-9H,2H2,1H3,(H,20,21)
- InChI Key: GLPNOQJXQKTION-UHFFFAOYSA-N
- SMILES: FC(C1C=C(C(=O)O)C=C(C=1)C1C=CC=C(C=1)OCC)(F)F
Computed Properties
- Exact Mass: 310.08167876Da
- Monoisotopic Mass: 310.08167876Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 22
- Rotatable Bond Count: 4
- Complexity: 383
- 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: 4.3
- Topological Polar Surface Area: 46.5?2
3-(3-Ethoxyphenyl)-5-trifluoromethylbenzoic acid Related Literature
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Qiyuan Wu,Shangmin Xiong,Peichuan Shen,Shen Zhao,Alexander Orlov Catal. Sci. Technol., 2015,5, 2059-2064
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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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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Dan Yang,Yanping Zhou,Xianhong Rui,Jixin Zhu,Ziyang Lu,Eileen Fong,Qingyu Yan RSC Adv., 2013,3, 14960-14962
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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