Cas no 825644-14-2 (Benzene, 2-bromo-1,3,5-tris(1-ethylpropyl)-)
825644-14-2 structure
Product Name:Benzene, 2-bromo-1,3,5-tris(1-ethylpropyl)-
CAS No:825644-14-2
MF:C21H35Br
MW:367.406605958939
CID:687915
PubChem ID:71418025
Update Time:2025-04-19
Benzene, 2-bromo-1,3,5-tris(1-ethylpropyl)- Chemical and Physical Properties
Names and Identifiers
-
- Benzene, 2-bromo-1,3,5-tris(1-ethylpropyl)-
- 2-bromo-1,3,5-tri(pentan-3-yl)benzene
- 825644-14-2
- DTXSID00837353
-
- Inchi： 1S/C21H35Br/c1-7-15(8-2)18-13-19(16(9-3)10-4)21(22)20(14-18)17(11-5)12-6/h13-17H,7-12H2,1-6H3
- InChI Key： VEGMSAHZWARETO-UHFFFAOYSA-N
- SMILES： BrC1C(=CC(=CC=1C(CC)CC)C(CC)CC)C(CC)CC
Computed Properties
- Exact Mass: 366.19221g/mol
- Monoisotopic Mass: 366.19221g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 0
- Heavy Atom Count: 22
- Rotatable Bond Count: 9
- Complexity: 254
- 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: 9.2
- Topological Polar Surface Area: 0?2
Benzene, 2-bromo-1,3,5-tris(1-ethylpropyl)- Related Literature
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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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Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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