Cas no 51795-98-3 (Benzene, [(7-bromoheptyl)oxy]-)
![Benzene, [(7-bromoheptyl)oxy]- structure](https://ossimg.kuujia.com/scimg/52000/51795-98-3x500.png)
51795-98-3 structure
Product Name:Benzene, [(7-bromoheptyl)oxy]-
CAS No:51795-98-3
MF:C13H19BrO
MW:271.193363428116
CID:361372
PubChem ID:10516252
Update Time:2025-04-19
Benzene, [(7-bromoheptyl)oxy]- Chemical and Physical Properties
Names and Identifiers
-
- Benzene, [(7-bromoheptyl)oxy]-
- 7-bromoheptoxybenzene
- DTXSID00441171
- 1-Bromo-7-phenoxyheptane
- 51795-98-3
- SCHEMBL7008145
- 7-PHENOXYHEPTYL BROMIDE
- OJCPJTXRPNMPIT-UHFFFAOYSA-N
-
- Inchi： 1S/C13H19BrO/c14-11-7-2-1-3-8-12-15-13-9-5-4-6-10-13/h4-6,9-10H,1-3,7-8,11-12H2
- InChI Key： OJCPJTXRPNMPIT-UHFFFAOYSA-N
- SMILES： BrCCCCCCCOC1C=CC=CC=1
Computed Properties
- Exact Mass: 270.06197
- Monoisotopic Mass: 270.06193g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 15
- Rotatable Bond Count: 8
- Complexity: 133
- 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
- Topological Polar Surface Area: 9.2?2
Experimental Properties
- PSA: 9.23
Benzene, [(7-bromoheptyl)oxy]- Related Literature
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Wenjie Zhao,Hua Hou,Yuchun Jin,Zhixiang Zeng,Xuedong Wu,Qunji Xue RSC Adv., 2014,4, 60307-60315
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James D. Kirkham,Patrick M. Delaney,George J. Ellames,Eleanor C. Row,Joseph P. A. Harrity Chem. Commun., 2010,46, 5154-5156
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Mark D. Allendorf,Alauddin Ahmed,Tom Autrey,Jeffrey Camp,Eun Seon Cho,Maciej Haranczyk,Abhi Karkamkar,Di-Jia Liu,Katie R. Meihaus,Iffat H. Nayyar,Roman Nazarov,Donald J. Siegel,Vitalie Stavila,Jeffrey J. Urban,Srimukh Prasad Veccham,Brandon C. Wood Energy Environ. Sci., 2018,11, 2784-2812
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Yang Chen,Di Zhou,Zheyi Meng,Jin Zhai Chem. Commun., 2016,52, 10020-10023
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Xiao Liu,Jun Xu,Yinyun Lv,Wenyu Wu,Weisheng Liu,Yu Tang Dalton Trans., 2013,42, 9840-9846
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