Cas no 106775-98-8 (Butanoic acid, 2-chloro-4,4,4-trifluoro-3-oxo-, methyl ester)
106775-98-8 structure
Product Name:Butanoic acid, 2-chloro-4,4,4-trifluoro-3-oxo-, methyl ester
CAS No:106775-98-8
MF:C5H4ClF3O3
MW:204.531671524048
CID:2624271
PubChem ID:10976601
Update Time:2025-04-21
Butanoic acid, 2-chloro-4,4,4-trifluoro-3-oxo-, methyl ester Chemical and Physical Properties
Names and Identifiers
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- Butanoic acid, 2-chloro-4,4,4-trifluoro-3-oxo-, methyl ester
- DTXCID80401273
- DTXSID30450453
- 106775-98-8
-
- Inchi： 1S/C5H4ClF3O3/c1-12-4(11)2(6)3(10)5(7,8)9/h2H,1H3
- InChI Key： DLPRGUYVONXRDD-UHFFFAOYSA-N
- SMILES： ClC(C(=O)OC)C(C(F)(F)F)=O
Computed Properties
- Exact Mass: 203.9801062Da
- Monoisotopic Mass: 203.9801062Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 12
- Rotatable Bond Count: 3
- Complexity: 201
- 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: 1.8
- Topological Polar Surface Area: 43.4?2
Butanoic acid, 2-chloro-4,4,4-trifluoro-3-oxo-, methyl 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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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
106775-98-8 (Butanoic acid, 2-chloro-4,4,4-trifluoro-3-oxo-, methyl ester) Related Products
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