Cas no 1261990-88-8 (3-(2,4-Difluorophenyl)-5-trifluoromethylbenzoic acid)
1261990-88-8 structure
Product Name:3-(2,4-Difluorophenyl)-5-trifluoromethylbenzoic acid
CAS No:1261990-88-8
MF:C14H7F5O2
MW:302.196201562881
CID:2621585
PubChem ID:53225872
Update Time:2025-04-21
3-(2,4-Difluorophenyl)-5-trifluoromethylbenzoic acid Chemical and Physical Properties
Names and Identifiers
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- MFCD18319958
- DTXSID70689604
- 1261990-88-8
- 3-(2,4-DIFLUOROPHENYL)-5-TRIFLUOROMETHYLBENZOIC ACID
- 2',4'-Difluoro-5-(trifluoromethyl)[1,1'-biphenyl]-3-carboxylic acid
- 3-(2,4-Difluorophenyl)-5-trifluoromethylbenzoic acid, 95%
- 3-(2,4-Difluorophenyl)-5-trifluoromethylbenzoic acid
-
- Inchi： 1S/C14H7F5O2/c15-10-1-2-11(12(16)6-10)7-3-8(13(20)21)5-9(4-7)14(17,18)19/h1-6H,(H,20,21)
- InChI Key： GEXMCXXKIJWKBI-UHFFFAOYSA-N
- SMILES： FC1C=C(C=CC=1C1=CC(C(=O)O)=CC(C(F)(F)F)=C1)F
Computed Properties
- Exact Mass: 302.03662027Da
- Monoisotopic Mass: 302.03662027Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 21
- Rotatable Bond Count: 2
- Complexity: 384
- 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: 4.2
- Topological Polar Surface Area: 37.3?2
3-(2,4-Difluorophenyl)-5-trifluoromethylbenzoic acid Related Literature
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Jing Yu,Yu-Qi Lyu,Jiapeng Liu,Mohammed B. Effat,Junxiong Wu J. Mater. Chem. A, 2019,7, 17995-18002
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Denis V. Korchagin,Elena A. Yureva,Alexander V. Akimov,Eugenii Ya. Misochko,Gennady V. Shilov,Artem D. Talantsev,Roman B. Morgunov,Alexander A. Shakin,Sergey M. Aldoshin,Boris S. Tsukerblat Dalton Trans., 2017,46, 7540-7548
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
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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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