Cas no 88563-50-2 (Benzoic acid, pentafluoro-, 1-(3,4-dimethylphenyl)ethyl ester)
88563-50-2 structure
Product Name:Benzoic acid, pentafluoro-, 1-(3,4-dimethylphenyl)ethyl ester
CAS No:88563-50-2
MF:C17H13F5O2
MW:344.275942564011
CID:628568
PubChem ID:71318767
Update Time:2025-04-19
Benzoic acid, pentafluoro-, 1-(3,4-dimethylphenyl)ethyl ester Chemical and Physical Properties
Names and Identifiers
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- Benzoic acid, pentafluoro-, 1-(3,4-dimethylphenyl)ethyl ester
- 1-(3,4-dimethylphenyl)ethyl 2,3,4,5,6-pentafluorobenzoate
- DTXSID60748835
- 1-(3,4-Dimethylphenyl)ethyl pentafluorobenzoate
- 88563-50-2
-
- Inchi： 1S/C17H13F5O2/c1-7-4-5-10(6-8(7)2)9(3)24-17(23)11-12(18)14(20)16(22)15(21)13(11)19/h4-6,9H,1-3H3
- InChI Key： SDAVLMVVYLOHTC-UHFFFAOYSA-N
- SMILES： FC1C(=C(C(=C(C=1C(=O)OC(C)C1=CC=C(C)C(C)=C1)F)F)F)F
Computed Properties
- Exact Mass: 344.08357046g/mol
- Monoisotopic Mass: 344.08357046g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 24
- Rotatable Bond Count: 4
- Complexity: 433
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 4.9
- Topological Polar Surface Area: 26.3?2
Benzoic acid, pentafluoro-, 1-(3,4-dimethylphenyl)ethyl ester Related Literature
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R. M. Pemberton,J. P. Hart,T. T. Mottram Analyst, 2001,126, 1866-1871
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Jing Chen,Yu Shao,Danzhen Li J. Mater. Chem. A, 2017,5, 937-941
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Mark D. Allendorf,Alauddin Ahmed,Tom Autrey,Jeffrey Camp,Eun Seon Cho,Maciej Haranczyk,Abhi Karkamkar,Di-Jia Liu,Katie R. Meihaus,Iffat H. Nayyar,Roman Nazarov,Donald J. Siegel,Vitalie Stavila,Jeffrey J. Urban,Srimukh Prasad Veccham,Brandon C. Wood Energy Environ. Sci., 2018,11, 2784-2812
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M. Sheykhan,S. Khani,S. Shaabanzadeh,M. Joafshan Green Chem., 2017,19, 5940-5948
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Christian K. Rank,Alexander W. Jones,Tatjana Wall,Patrick Di Martino-Fumo,Sarah Schr?ck,Markus Gerhards,Frederic W. Patureau Chem. Commun., 2019,55, 13749-13752
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