Cas no 1598-96-5 (Propanedioicacid, 2-fluoro-, 1,3-dibutyl ester)
1598-96-5 structure
Product Name:Propanedioicacid, 2-fluoro-, 1,3-dibutyl ester
CAS No:1598-96-5
MF:C11H19FO4
MW:234.264567613602
CID:234147
PubChem ID:329058
Update Time:2025-04-19
Propanedioicacid, 2-fluoro-, 1,3-dibutyl ester Chemical and Physical Properties
Names and Identifiers
-
- Propanedioicacid, 2-fluoro-, 1,3-dibutyl ester
- 1598-96-5
- NSC-310163
- NSC310163
- dibutyl 2-fluoropropanedioate
- DTXSID60317025
-
- Inchi： 1S/C11H19FO4/c1-3-5-7-15-10(13)9(12)11(14)16-8-6-4-2/h9H,3-8H2,1-2H3
- InChI Key： CXOXVBFZFNYYRP-UHFFFAOYSA-N
- SMILES： FC(C(=O)OCCCC)C(=O)OCCCC
Computed Properties
- Exact Mass: 234.12677
- Monoisotopic Mass: 234.127
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 16
- Rotatable Bond Count: 10
- Complexity: 196
- 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: 52.6?2
Experimental Properties
- Density: 1.05
- Boiling Point: 265.9°Cat760mmHg
- Flash Point: 111.2°C
- Refractive Index: 1.422
- PSA: 52.6
Propanedioicacid, 2-fluoro-, 1,3-dibutyl ester Related Literature
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
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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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Alena Koukalová,?árka Pokorná,Aimee L. Boyle,Nestor Lopez Mora,Alexander Kros,Martin Hof,Radek ?achl Nanoscale, 2018,10, 19064-19073
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