Cas no 825644-09-5 (Benzene, 3-bromo-1,2,4,5-tetrakis(1-ethylpropyl)-)
825644-09-5 structure
Product Name:Benzene, 3-bromo-1,2,4,5-tetrakis(1-ethylpropyl)-
CAS No:825644-09-5
MF:C26H45Br
MW:437.539507627487
CID:687920
PubChem ID:71418029
Update Time:2025-04-19
Benzene, 3-bromo-1,2,4,5-tetrakis(1-ethylpropyl)- Chemical and Physical Properties
Names and Identifiers
-
- Benzene, 3-bromo-1,2,4,5-tetrakis(1-ethylpropyl)-
- 3-bromo-1,2,4,5-tetra(pentan-3-yl)benzene
- 825644-09-5
- DTXSID40837357
-
- Inchi： 1S/C26H45Br/c1-9-18(10-2)22-17-23(19(11-3)12-4)25(21(15-7)16-8)26(27)24(22)20(13-5)14-6/h17-21H,9-16H2,1-8H3
- InChI Key： BQQYGQKIMFBHQC-UHFFFAOYSA-N
- SMILES： BrC1=C(C(CC)CC)C(=CC(C(CC)CC)=C1C(CC)CC)C(CC)CC
Computed Properties
- Exact Mass: 436.27046g/mol
- Monoisotopic Mass: 436.27046g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 0
- Heavy Atom Count: 27
- Rotatable Bond Count: 12
- Complexity: 328
- 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: 11.5
- Topological Polar Surface Area: 0?2
Benzene, 3-bromo-1,2,4,5-tetrakis(1-ethylpropyl)- Related Literature
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Shaun D. Wong,Edward I. Solomon Dalton Trans., 2014,43, 17567-17577
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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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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Amit Kumar Majhi,Subbarao Kanchi,V. Venkataraman,K. G. Ayappa,Prabal K. Maiti Soft Matter, 2015,11, 8632-8640
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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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