Cas no 381246-25-9 (2-BROMO-2-FLUOROETHYLACETATE)
2-BROMO-2-FLUOROETHYLACETATE structure
Product Name:2-BROMO-2-FLUOROETHYLACETATE
CAS No:381246-25-9
MF:C4H6BrFO2
MW:184.991644382477
CID:3252965
PubChem ID:86684659
Update Time:2025-04-21
2-BROMO-2-FLUOROETHYLACETATE Chemical and Physical Properties
Names and Identifiers
-
- 2-BROMO-2-FLUOROETHYLACETATE
- Ethanol, 2-bromo-2-fluoro-, 1-acetate
- 381246-25-9
- bromofluoroethyl acetate
- CUPGQDPIJYIMNH-UHFFFAOYSA-N
- DTXSID301287103
- SCHEMBL3307290
-
- Inchi： 1S/C4H6BrFO2/c1-3(7)8-2-4(5)6/h4H,2H2,1H3
- InChI Key： CUPGQDPIJYIMNH-UHFFFAOYSA-N
- SMILES： C(OC(=O)C)C(Br)F
Computed Properties
- Exact Mass: 183.95352Da
- Monoisotopic Mass: 183.95352Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 8
- Rotatable Bond Count: 3
- Complexity: 86.1
- 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: 1.4
- Topological Polar Surface Area: 26.3?2
2-BROMO-2-FLUOROETHYLACETATE Related Literature
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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