Cas no 916792-06-8 (3-ETHYL-4-FLUOROPHENYL-3-OXOPROPANOATE)
916792-06-8 structure
Product Name:3-ETHYL-4-FLUOROPHENYL-3-OXOPROPANOATE
CAS No:916792-06-8
MF:C11H10FO3
MW:209.193706989288
CID:3032009
PubChem ID:53446892
Update Time:2025-04-21
3-ETHYL-4-FLUOROPHENYL-3-OXOPROPANOATE Chemical and Physical Properties
Names and Identifiers
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- 3-ETHYL-4-FLUOROPHENYL-3-OXOPROPANOATE
- 916792-06-8
- 2-(3-ethyl-4-fluorophenyl)-3-oxopropanoate
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- Inchi： 1S/C11H11FO3/c1-2-7-5-8(3-4-10(7)12)9(6-13)11(14)15/h3-6,9H,2H2,1H3,(H,14,15)/p-1
- InChI Key： CBQPCEXYCJIEMR-UHFFFAOYSA-M
- SMILES： FC1C=CC(=CC=1CC)C(C=O)C(=O)[O-]
Computed Properties
- Exact Mass: 209.06139734Da
- Monoisotopic Mass: 209.06139734Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 15
- Rotatable Bond Count: 3
- Complexity: 236
- 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: 2.7
- Topological Polar Surface Area: 57.2?2
3-ETHYL-4-FLUOROPHENYL-3-OXOPROPANOATE Related Literature
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Thi Thu Tram Nguyen,Thanh Binh Nguyen Org. Biomol. Chem., 2021,19, 6015-6020
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Eléonore Resongles,Corinne Casiot,Fran?oise Elbaz-Poulichet,Rémi Freydier,Odile Bruneel,Christine Piot,Sophie Delpoux,Aurélie Volant,Angélique Desoeuvre Environ. Sci.: Processes Impacts, 2013,15, 1536-1544
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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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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Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
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