Cas no 79118-14-2 (Benzene, 5-(3-bromopropyl)-1,2,3-trimethoxy-)
79118-14-2 structure
Product Name:Benzene, 5-(3-bromopropyl)-1,2,3-trimethoxy-
CAS No:79118-14-2
MF:C12H17BrO3
MW:289.165583372116
CID:533334
PubChem ID:22609611
Update Time:2025-04-19
Benzene, 5-(3-bromopropyl)-1,2,3-trimethoxy- Chemical and Physical Properties
Names and Identifiers
-
- Benzene, 5-(3-bromopropyl)-1,2,3-trimethoxy-
- 5-(3-bromopropyl)-1,2,3-trimethoxybenzene
- SCHEMBL6780613
- DTXSID80626904
- 79118-14-2
- 1-bromo-3-(3,4,5-trimethoxyphenyl)propane
- SQPCJQDMKMHJTR-UHFFFAOYSA-N
-
- Inchi： 1S/C12H17BrO3/c1-14-10-7-9(5-4-6-13)8-11(15-2)12(10)16-3/h7-8H,4-6H2,1-3H3
- InChI Key： SQPCJQDMKMHJTR-UHFFFAOYSA-N
- SMILES： BrCCCC1C=C(C(=C(C=1)OC)OC)OC
Computed Properties
- Exact Mass: 288.03611g/mol
- Monoisotopic Mass: 288.03611g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 16
- Rotatable Bond Count: 6
- Complexity: 175
- 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: 2.8
- Topological Polar Surface Area: 27.7?2
Benzene, 5-(3-bromopropyl)-1,2,3-trimethoxy- Related Literature
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1. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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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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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
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