Cas no 679794-96-8 (Benzene, 1-(1,1-dimethylethoxy)-2-fluoro-)
679794-96-8 structure
Product Name:Benzene, 1-(1,1-dimethylethoxy)-2-fluoro-
CAS No:679794-96-8
MF:C10H13FO
MW:168.208026647568
CID:4139772
PubChem ID:57994090
Update Time:2025-04-24
Benzene, 1-(1,1-dimethylethoxy)-2-fluoro- Chemical and Physical Properties
Names and Identifiers
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- Benzene, 1-(1,1-dimethylethoxy)-2-fluoro-
- 679794-96-8
- SCHEMBL10202574
- 1-(tert-butoxy)-2-fluorobenzene
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- Inchi： 1S/C10H13FO/c1-10(2,3)12-9-7-5-4-6-8(9)11/h4-7H,1-3H3
- InChI Key： AWIWHADWUAZFMB-UHFFFAOYSA-N
- SMILES： C1(OC(C)(C)C)=CC=CC=C1F
Computed Properties
- Exact Mass: 168.095043196Da
- Monoisotopic Mass: 168.095043196Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 2
- Complexity: 139
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.1
- Topological Polar Surface Area: 9.2?2
Benzene, 1-(1,1-dimethylethoxy)-2-fluoro- Related Literature
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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Qiyuan Wu,Shangmin Xiong,Peichuan Shen,Shen Zhao,Alexander Orlov Catal. Sci. Technol., 2015,5, 2059-2064
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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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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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