Cas no 59857-00-0 (Benzoic acid, 4-methoxy-, 4-[[4-(trifluoromethyl)benzoyl]oxy]phenyl ester)
![Benzoic acid, 4-methoxy-, 4-[[4-(trifluoromethyl)benzoyl]oxy]phenyl ester structure](https://ossimg.kuujia.com/scimg/60000/59857-00-0x500.png)
59857-00-0 structure
Product Name:Benzoic acid, 4-methoxy-, 4-[[4-(trifluoromethyl)benzoyl]oxy]phenyl ester
CAS No:59857-00-0
MF:C22H15F3O5
MW:416.346717119217
CID:1617280
PubChem ID:71442663
Update Time:2025-04-21
Benzoic acid, 4-methoxy-, 4-[[4-(trifluoromethyl)benzoyl]oxy]phenyl ester Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid, 4-methoxy-, 4-[[4-(trifluoromethyl)benzoyl]oxy]phenyl ester
- [4-(4-methoxybenzoyl)oxyphenyl] 4-(trifluoromethyl)benzoate
- 59857-00-0
- 4-{[4-(Trifluoromethyl)benzoyl]oxy}phenyl 4-methoxybenzoate
- DTXSID30851527
-
- Inchi： 1S/C22H15F3O5/c1-28-17-8-4-15(5-9-17)21(27)30-19-12-10-18(11-13-19)29-20(26)14-2-6-16(7-3-14)22(23,24)25/h2-13H,1H3
- InChI Key： DUOODXYXNLHTFI-UHFFFAOYSA-N
- SMILES： FC(C1C=CC(C(=O)OC2C=CC(=CC=2)OC(C2C=CC(=CC=2)OC)=O)=CC=1)(F)F
Computed Properties
- Exact Mass: 416.08715
- Monoisotopic Mass: 416.08715806g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 8
- Heavy Atom Count: 30
- Rotatable Bond Count: 7
- Complexity: 570
- 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: 5.6
- Topological Polar Surface Area: 61.8?2
Experimental Properties
- PSA: 61.83
Benzoic acid, 4-methoxy-, 4-[[4-(trifluoromethyl)benzoyl]oxy]phenyl ester Related Literature
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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
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Joseph W. Bennett,Diamond T. Jones,Blake G. Hudson,Joshua Melendez-Rivera,Robert J. Hamers,Sara E. Mason Environ. Sci.: Nano, 2020,7, 1642-1651
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Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
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Yiding Jiao,Liqun Kang,Jasper Berry-Gair,Kit McColl,Jianwei Li,Haobo Dong,Hao Jiang,Ryan Wang,Furio Corà,Dan J. L. Brett,Ivan P. Parkin J. Mater. Chem. A, 2020,8, 22075-22082
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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