Cas no 67103-73-5 (Benzoic acid, 4-chloro-, 2,2,2-trifluoroethyl ester)
67103-73-5 structure
Product Name:Benzoic acid, 4-chloro-, 2,2,2-trifluoroethyl ester
CAS No:67103-73-5
MF:C9H6ClF3O2
MW:238.590952396393
CID:395367
PubChem ID:22149744
Update Time:2025-04-19
Benzoic acid, 4-chloro-, 2,2,2-trifluoroethyl ester Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid, 4-chloro-, 2,2,2-trifluoroethyl ester
- 2,2,2-trifluoroethyl 4-chlorobenzoate
- 67103-73-5
- trifluoroethyl 4-chlorobenzoate
- DTXSID30622971
- DYVQXTTZSOIHFO-UHFFFAOYSA-N
- SCHEMBL9247387
-
- Inchi： 1S/C9H6ClF3O2/c10-7-3-1-6(2-4-7)8(14)15-5-9(11,12)13/h1-4H,5H2
- InChI Key： DYVQXTTZSOIHFO-UHFFFAOYSA-N
- SMILES： ClC1C=CC(=CC=1)C(=O)OCC(F)(F)F
Computed Properties
- Exact Mass: 238.0008416g/mol
- Monoisotopic Mass: 238.0008416g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 15
- Rotatable Bond Count: 3
- Complexity: 222
- 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: 3.7
- Topological Polar Surface Area: 26.3?2
Benzoic acid, 4-chloro-, 2,2,2-trifluoroethyl ester Related Literature
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Kathrin Kutlescha,Rhett Kempe New J. Chem., 2010,34, 1954-1960
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3. An all-solid-state imprinted polymer-based potentiometric sensor for determination of bisphenol S?Rongning Liang,Tanji Yin,Ruiqing Yao,Wei Qin RSC Adv., 2016,6, 73308-73312
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Quan Xiang,Yiqin Chen,Zhiqin Li,Kaixi Bi,Guanhua Zhang,Huigao Duan Nanoscale, 2016,8, 19541-19550
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Xin Fu,Qing-rong Liang,Rong-guang Luo,Yan-shu Li,Xiao-ping Xiao,Lu-lu Yu,Wen-zhe Shan,Guang-qin Fan J. Mater. Chem. B, 2019,7, 3088-3099
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