Cas no 392-64-3 (Butanoic acid,2,4-difluoro-3-oxo-, methyl ester)
392-64-3 structure
Product Name:Butanoic acid,2,4-difluoro-3-oxo-, methyl ester
CAS No:392-64-3
MF:C5H6F2O3
MW:152.096148967743
CID:294309
PubChem ID:45119092
Update Time:2025-04-19
Butanoic acid,2,4-difluoro-3-oxo-, methyl ester Chemical and Physical Properties
Names and Identifiers
-
- Butanoic acid,2,4-difluoro-3-oxo-, methyl ester
- Acetoaceticacid, 2,4-difluoro-, methyl ester (8CI)
- 392-64-3
- methyl 2,4-difluoro-3-oxobutanoate
- DTXSID001298272
- SCHEMBL1366208
-
- Inchi: 1S/C5H6F2O3/c1-10-5(9)4(7)3(8)2-6/h4H,2H2,1H3
- InChI Key: DLNXEQBSDIIGBC-UHFFFAOYSA-N
- SMILES: FC(C(=O)OC)C(CF)=O
Computed Properties
- Exact Mass: 152.029
- Monoisotopic Mass: 152.029
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 10
- Rotatable Bond Count: 4
- Complexity: 146
- 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
- Topological Polar Surface Area: 43.4A^2
- XLogP3: 0.8
Butanoic acid,2,4-difluoro-3-oxo-, methyl ester Related Literature
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
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Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
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Christopher B. Rodell,Christopher B. Highley,Minna H. Chen,Neville N. Dusaj,Chao Wang,Lin Han,Jason A. Burdick Soft Matter, 2016,12, 7839-7847
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
392-64-3 (Butanoic acid,2,4-difluoro-3-oxo-, methyl ester) Related Products
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- 2680771-01-9(4-cyclopentyl-3-{(prop-2-en-1-yloxy)carbonylamino}butanoic acid)
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