Cas no 182875-05-4 (Benzoic acid, 2,4,5-trifluoro-, 1,1-dimethylethyl ester)
182875-05-4 structure
Product Name:Benzoic acid, 2,4,5-trifluoro-, 1,1-dimethylethyl ester
CAS No:182875-05-4
MF:C11H11F3O2
MW:232.199054002762
CID:1376397
PubChem ID:10868153
Update Time:2025-04-20
Benzoic acid, 2,4,5-trifluoro-, 1,1-dimethylethyl ester Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid, 2,4,5-trifluoro-, 1,1-dimethylethyl ester
- tert-butyl 2,4,5-trifluorobenzoate
- SCHEMBL364791
- YHLADGKQRNGNIV-UHFFFAOYSA-N
- A1-06362
- DTXSID70446491
- 182875-05-4
-
- Inchi： 1S/C11H11F3O2/c1-11(2,3)16-10(15)6-4-8(13)9(14)5-7(6)12/h4-5H,1-3H3
- InChI Key： YHLADGKQRNGNIV-UHFFFAOYSA-N
- SMILES： FC1C=C(C(=CC=1C(=O)OC(C)(C)C)F)F
Computed Properties
- Exact Mass: 232.07113
- Monoisotopic Mass: 232.07111408g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 16
- Rotatable Bond Count: 3
- Complexity: 262
- 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: 3.1
- Topological Polar Surface Area: 26.3?2
Experimental Properties
- PSA: 26.3
Benzoic acid, 2,4,5-trifluoro-, 1,1-dimethylethyl ester Related Literature
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Kaiyuan Huang,Wangkang Qiu,Meilian Ou,Xiaorui Liu,Zenan Liao,Sheng Chu RSC Adv., 2020,10, 18824-18829
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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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3. An autonomous self-optimizing flow machine for the synthesis of pyridine–oxazoline (PyOX) ligands?Eric Wimmer,Daniel Cortés-Borda,Solène Brochard,Elvina Barré,Charlotte Truchet,Fran?ois-Xavier Felpin React. Chem. Eng., 2019,4, 1608-1615
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5. An integrated chip for immunofluorescence and its application to analyze lysosomal storage disordersJie Shen,Ying Zhou,Tu Lu,Junya Peng,Zhixiang Lin,Yuhong Pang,Li Yu Lab Chip, 2012,12, 317-324
182875-05-4 (Benzoic acid, 2,4,5-trifluoro-, 1,1-dimethylethyl ester) Related Products
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