Cas no 5447-45-0 (Undecane, 5-bromo-)
Undecane, 5-bromo- structure
Product Name:Undecane, 5-bromo-
Undecane, 5-bromo- Chemical and Physical Properties
Names and Identifiers
-
- Undecane, 5-bromo-
- 5-bromoundecane
- Undecane,5-bromo
- SCHEMBL12328082
- NSC-15770
- DTXSID00280183
- NSC15770
- 5447-45-0
-
- Inchi： 1S/C11H23Br/c1-3-5-7-8-10-11(12)9-6-4-2/h11H,3-10H2,1-2H3
- InChI Key： IIUMAVGDCSJZGR-UHFFFAOYSA-N
- SMILES： BrC(CCCC)CCCCCC
Computed Properties
- Exact Mass: 234.09800
- Monoisotopic Mass: 234.09831g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 0
- Heavy Atom Count: 12
- Rotatable Bond Count: 8
- Complexity: 81.1
- 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: 5.7
- Topological Polar Surface Area: 0?2
Experimental Properties
- Density: 1.0404 (estimate)
- Boiling Point: 250.97°C (estimate)
- Refractive Index: 1.4498 (estimate)
- PSA: 0.00000
- LogP: 4.91050
Undecane, 5-bromo- Related Literature
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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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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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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