Cas no 1274-08-4 (Ferrocene,1,1'-dibutyl-)
Ferrocene,1,1'-dibutyl- structure
Product Name:Ferrocene,1,1'-dibutyl-
Ferrocene,1,1'-dibutyl- Chemical and Physical Properties
Names and Identifiers
-
- Ferrocene,1,1'-dibutyl-
- 1,1'-DI-N-BUTYLFERROCENE
- 1-butylcyclopenta-1,3-diene,iron(2+)
- 1,1'-Dibutylferrocene
- D1272
- Dibutylferrocene
- EINECS 215-060-5
- Ferrocene, 1,1'-dibutyl-
- 1-butylcyclopenta-1,3-diene
- ferrous 1-butylcyclopenta-1,3-diene
- 1274-08-4
- 1-butylcyclopenta-1,3-diene;iron(2+)
- 1,1/'-DI-N-BUTYLFERROCENE
-
- Inchi： 1S/2C9H13.Fe/c2*1-2-3-6-9-7-4-5-8-9;/h2*4-5,7-8H,2-3,6H2,1H3;/q2*-1;+2
- InChI Key： FJUFINOZWSTZEZ-UHFFFAOYSA-N
- SMILES： [Fe+2].[CH-]1C=CC=C1CCCC.[CH-]1C=CC=C1CCCC
Computed Properties
- Exact Mass: 298.13800
- Monoisotopic Mass: 298.138386g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 19
- Rotatable Bond Count: 6
- Complexity: 159
- Covalently-Bonded Unit Count: 3
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 0?2
Experimental Properties
- PSA: 0.00000
- LogP: 4.87310
Ferrocene,1,1'-dibutyl- Related Literature
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Martin R. Ward,Gary W. Copeland,Andrew J. Alexander Chem. Commun., 2010,46, 7634-7636
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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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Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
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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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