Cas no 196202-02-5 (Pentanoic acid,2,4-difluoro-3-oxo-, methyl ester)
196202-02-5 structure
Product Name:Pentanoic acid,2,4-difluoro-3-oxo-, methyl ester
CAS No:196202-02-5
MF:C6H8F2O3
MW:166.122729301453
CID:116895
PubChem ID:11126631
Update Time:2025-04-18
Pentanoic acid,2,4-difluoro-3-oxo-, methyl ester Chemical and Physical Properties
Names and Identifiers
-
- Pentanoic acid,2,4-difluoro-3-oxo-, methyl ester
- methyl 2,4-difluoro-3-oxopentanoate
- DTXSID501233069
- 196202-02-5
- Pentanoic acid, 2,4-difluoro-3-oxo-, methyl ester
- Pentanoic acid, 2,4-difluoro-3-oxo-, methyl ester
- SCHEMBL7638966
-
- Inchi： 1S/C6H8F2O3/c1-3(7)5(9)4(8)6(10)11-2/h3-4H,1-2H3
- InChI Key： UIJHYJLCCFJKGO-UHFFFAOYSA-N
- SMILES： FC(C)C(C(C(=O)OC)F)=O
Computed Properties
- Exact Mass: 166.04414
- Monoisotopic Mass: 166.04415044g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 11
- Rotatable Bond Count: 4
- Complexity: 169
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.2
- Topological Polar Surface Area: 43.4?2
Experimental Properties
- PSA: 43.37
Pentanoic acid,2,4-difluoro-3-oxo-, methyl ester Related Literature
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Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
-
Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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Chen Long,Ying Dai,Jianwei Li,Hao Jin Nanoscale, 2020,12, 21124-21130
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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
196202-02-5 (Pentanoic acid,2,4-difluoro-3-oxo-, methyl ester) Related Products
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- 1270529-38-8(1,2,3,4,5,6-Hexahydro-[2,3]bipyridinyl-6-ol)
- 2680771-01-9(4-cyclopentyl-3-{(prop-2-en-1-yloxy)carbonylamino}butanoic acid)
- 2098070-20-1(2-(3-(Pyridin-3-yl)-1H-pyrazol-1-yl)acetimidamide)
- 1444113-98-7(N-(3-cyanothiolan-3-yl)-2-[(2,2,2-trifluoroethyl)sulfanyl]pyridine-4-carboxamide)
- 941977-17-9(N'-(3-chloro-2-methylphenyl)-N-2-(dimethylamino)-2-(naphthalen-1-yl)ethylethanediamide)
- 2138166-62-6(2,2-Difluoro-3-[methyl(2-methylbutyl)amino]propanoic acid)
- 89640-58-4(2-Iodo-4-nitrophenylhydrazine)
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