Cas no 88489-67-2 (Benzoic acid, 4-[(trifluoromethyl)sulfonyl]-, methyl ester)
![Benzoic acid, 4-[(trifluoromethyl)sulfonyl]-, methyl ester structure](https://ossimg.kuujia.com/scimg/88500/88489-67-2x500.png)
88489-67-2 structure
Product Name:Benzoic acid, 4-[(trifluoromethyl)sulfonyl]-, methyl ester
CAS No:88489-67-2
MF:C9H7F3O4S
MW:268.209692239761
CID:630800
PubChem ID:15584690
Update Time:2025-04-19
Benzoic acid, 4-[(trifluoromethyl)sulfonyl]-, methyl ester Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid, 4-[(trifluoromethyl)sulfonyl]-, methyl ester
- methyl 4-(trifluoromethylsulfonyl)benzoate
- 88489-67-2
- Methyl 4-(trifluoromethanesulfonyl)benzoate
- CKIITVIMJSJBQV-UHFFFAOYSA-N
- DTXSID60575042
-
- Inchi： 1S/C9H7F3O4S/c1-16-8(13)6-2-4-7(5-3-6)17(14,15)9(10,11)12/h2-5H,1H3
- InChI Key： CKIITVIMJSJBQV-UHFFFAOYSA-N
- SMILES： S(C(F)(F)F)(C1C=CC(C(=O)OC)=CC=1)(=O)=O
Computed Properties
- Exact Mass: 268.00171436g/mol
- Monoisotopic Mass: 268.00171436g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 17
- Rotatable Bond Count: 3
- Complexity: 374
- 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: 68.8?2
Benzoic acid, 4-[(trifluoromethyl)sulfonyl]-, methyl ester Related Literature
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Luis Miguel Azofra,Douglas R. MacFarlane,Chenghua Sun Chem. Commun., 2016,52, 3548-3551
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M. T. Colomer,S. Díaz-Moreno,A. Tamayo,A. L. Ortiz J. Mater. Chem. C, 2018,6, 12643-12651
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Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
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Xue-Ying Wang,Ying Pei,Min Xie,Zi-He Jin,Ya-Shi Xiao,Yang Wang,Li-Na Zhang,Yan Li,Wei-Hua Huang Lab Chip, 2015,15, 1178-1187
88489-67-2 (Benzoic acid, 4-[(trifluoromethyl)sulfonyl]-, methyl ester) Related Products
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