Cas no 245435-08-9 (1,5-Di-tert-butyl-3-bromo-2-propoxybenzene)
245435-08-9 structure
Product Name:1,5-Di-tert-butyl-3-bromo-2-propoxybenzene
CAS No:245435-08-9
MF:C17H27BrO
MW:327.299684762955
CID:2133428
Update Time:2023-08-04
1,5-Di-tert-butyl-3-bromo-2-propoxybenzene Chemical and Physical Properties
Names and Identifiers
-
- 1,5-di-tert-butyl-3-bromo-2-propoxybenzene
- OFCBSPVMPWHSKK-UHFFFAOYSA-N
- 1-bromo-3,5-di-tert-butyl-2-propoxybenzene
- 1-Bromo-3,5-di-tert-butyl-2-propoxy-benzene
- 1,5-Di-tert-butyl-3-bromo-2-propoxybenzene
-
- Inchi： 1S/C17H27BrO/c1-8-9-19-15-13(17(5,6)7)10-12(11-14(15)18)16(2,3)4/h10-11H,8-9H2,1-7H3
- InChI Key： OFCBSPVMPWHSKK-UHFFFAOYSA-N
- SMILES： BrC1C=C(C=C(C=1OCCC)C(C)(C)C)C(C)(C)C
Computed Properties
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 19
- Rotatable Bond Count: 5
- Complexity: 274
- Topological Polar Surface Area: 9.2
1,5-Di-tert-butyl-3-bromo-2-propoxybenzene Related Literature
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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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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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
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Bo Wei,Zhenyu Liu,Chen Xie,Shu Yang,Wentao Tang,Aiwei Gu,Wing-Tak Wong,Ka-Leung Wong J. Mater. Chem. C, 2015,3, 12322-12327
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Joseph W. Bennett,Diamond T. Jones,Blake G. Hudson,Joshua Melendez-Rivera,Robert J. Hamers,Sara E. Mason Environ. Sci.: Nano, 2020,7, 1642-1651
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