Cas no 6438-04-6 (1-bromo-3-[2-(3-methoxyphenoxy)ethoxy]benzene)
6438-04-6 structure
Product Name:1-bromo-3-[2-(3-methoxyphenoxy)ethoxy]benzene
CAS No:6438-04-6
MF:C15H15BrO3
MW:323.181803941727
CID:1677945
PubChem ID:2282970
Update Time:2025-04-21
1-bromo-3-[2-(3-methoxyphenoxy)ethoxy]benzene Chemical and Physical Properties
Names and Identifiers
-
- 1-bromo-3-[2-(3-methoxyphenoxy)ethoxy]benzene
- DTXSID90367715
- AKOS001378778
- Z25637408
- 6438-04-6
-
- Inchi: 1S/C15H15BrO3/c1-17-13-5-3-7-15(11-13)19-9-8-18-14-6-2-4-12(16)10-14/h2-7,10-11H,8-9H2,1H3
- InChI Key: JQWUGOWYFOYPLT-UHFFFAOYSA-N
- SMILES: BrC1=CC=CC(=C1)OCCOC1C=CC=C(C=1)OC
Computed Properties
- Exact Mass: 322.02045
- Monoisotopic Mass: 322.02046g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 19
- Rotatable Bond Count: 6
- Complexity: 250
- 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: 4.2
- Topological Polar Surface Area: 27.7?2
Experimental Properties
- PSA: 27.69
1-bromo-3-[2-(3-methoxyphenoxy)ethoxy]benzene Related Literature
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Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
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Hyejin Moon,Aaron R. Wheeler,Robin L. Garrell,Chang-Jin “CJ” Kim Lab Chip, 2006,6, 1213-1219
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Xixi Li,Nanwei Zhu,Ruohan Li,Qinpu Zhang Anal. Methods, 2020,12, 3376-3381
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Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
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