Cas no 61739-61-5 (Benzene, 1,1'-[1,4-butanediylbis(oxy)]bis[2-bromo-)
![Benzene, 1,1'-[1,4-butanediylbis(oxy)]bis[2-bromo- structure](https://ossimg.kuujia.com/scimg/62000/61739-61-5x500.png)
61739-61-5 structure
Product Name:Benzene, 1,1'-[1,4-butanediylbis(oxy)]bis[2-bromo-
CAS No:61739-61-5
MF:C16H16Br2O2
MW:400.105043411255
CID:467882
PubChem ID:2304695
Update Time:2025-04-19
Benzene, 1,1'-[1,4-butanediylbis(oxy)]bis[2-bromo- Chemical and Physical Properties
Names and Identifiers
-
- Benzene, 1,1'-[1,4-butanediylbis(oxy)]bis[2-bromo-
- 1-bromo-2-[4-(2-bromophenoxy)butoxy]benzene
- DTXSID30367916
- 61739-61-5
- SCHEMBL2344935
-
- Inchi： 1S/C16H16Br2O2/c17-13-7-1-3-9-15(13)19-11-5-6-12-20-16-10-4-2-8-14(16)18/h1-4,7-10H,5-6,11-12H2
- InChI Key： VUSGYMNHLYMVGB-UHFFFAOYSA-N
- SMILES： BrC1C=CC=CC=1OCCCCOC1C=CC=CC=1Br
Computed Properties
- Exact Mass: 397.95168
- Monoisotopic Mass: 397.95170g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 20
- Rotatable Bond Count: 7
- Complexity: 237
- 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: 5.7
- Topological Polar Surface Area: 18.5?2
Experimental Properties
- PSA: 18.46
Benzene, 1,1'-[1,4-butanediylbis(oxy)]bis[2-bromo- Related Literature
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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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Riccardo Spezia,Stefan Knecht,Benedetta Mennucci Phys. Chem. Chem. Phys., 2017,19, 17156-17166
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3. Estimating and correcting interference fringes in infrared spectra in infrared hyperspectral imagingGhazal Azarfar,Ebrahim Aboualizadeh,Nicholas M. Walter,Simona Ratti,Camilla Olivieri,Alessandra Norici,Michael Nasse,Achim Kohler,Mario Giordano Analyst, 2018,143, 4674-4683
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Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
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Sheng Wang,Wenxian Xie,Xiu Zhang,Xia Zou,Yan Zhang Chem. Commun., 2012,48, 5907-5909
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