Cas no 655227-34-2 (Benzene, 1,4-dibromo-2-[(6-bromohexyl)oxy]-5-(hexyloxy)-)
![Benzene, 1,4-dibromo-2-[(6-bromohexyl)oxy]-5-(hexyloxy)- structure](https://ossimg.kuujia.com/scimg/655500/655227-34-2x500.png)
655227-34-2 structure
Product Name:Benzene, 1,4-dibromo-2-[(6-bromohexyl)oxy]-5-(hexyloxy)-
CAS No:655227-34-2
MF:C18H27Br3O2
MW:515.117783784866
CID:1688785
PubChem ID:68816341
Update Time:2025-04-21
Benzene, 1,4-dibromo-2-[(6-bromohexyl)oxy]-5-(hexyloxy)- Chemical and Physical Properties
Names and Identifiers
-
- Benzene, 1,4-dibromo-2-[(6-bromohexyl)oxy]-5-(hexyloxy)-
- 1,4-dibromo-2-(6-bromohexoxy)-5-hexoxybenzene
- 655227-34-2
- 1,4-DIBROMO-2-[(6-BROMOHEXYL)OXY]-5-(HEXYLOXY)BENZENE
- SCHEMBL3858144
- DTXSID40739089
-
- Inchi： 1S/C18H27Br3O2/c1-2-3-4-8-11-22-17-13-16(21)18(14-15(17)20)23-12-9-6-5-7-10-19/h13-14H,2-12H2,1H3
- InChI Key： GEXMLLPHLAHLGW-UHFFFAOYSA-N
- SMILES： BrCCCCCCOC1C=C(C(=CC=1Br)OCCCCCC)Br
Computed Properties
- Exact Mass: 511.95611
- Monoisotopic Mass: 511.95612g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 23
- Rotatable Bond Count: 13
- Complexity: 279
- 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: 7.8
- Topological Polar Surface Area: 18.5?2
Experimental Properties
- PSA: 18.46
Benzene, 1,4-dibromo-2-[(6-bromohexyl)oxy]-5-(hexyloxy)- Related Literature
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Kaiyuan Huang,Wangkang Qiu,Meilian Ou,Xiaorui Liu,Zenan Liao,Sheng Chu RSC Adv., 2020,10, 18824-18829
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Xiang Liu,Qian Sun,A. B. Djuri?i?,Maohai Xie,Baohu Dai,Jinyao Tang,Charles Surya,Changzhong Liao,Kaimin Shih RSC Adv., 2015,5, 100783-100789
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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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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