Cas no 114315-76-3 (Benzene, 1,1'-[1,12-dodecanediylbis(oxy)]bis[4-(bromomethyl)-)
![Benzene, 1,1'-[1,12-dodecanediylbis(oxy)]bis[4-(bromomethyl)- structure](https://ossimg.kuujia.com/scimg/114500/114315-76-3x500.png)
114315-76-3 structure
Product Name:Benzene, 1,1'-[1,12-dodecanediylbis(oxy)]bis[4-(bromomethyl)-
CAS No:114315-76-3
MF:C26H36Br2O2
MW:540.370846748352
CID:1202337
PubChem ID:20155867
Update Time:2025-04-20
Benzene, 1,1'-[1,12-dodecanediylbis(oxy)]bis[4-(bromomethyl)- Chemical and Physical Properties
Names and Identifiers
-
- Benzene, 1,1'-[1,12-dodecanediylbis(oxy)]bis[4-(bromomethyl)-
- 1-(bromomethyl)-4-[12-[4-(bromomethyl)phenoxy]dodecoxy]benzene
- DTXSID30603043
- 1,1'-[Dodecane-1,12-diylbis(oxy)]bis[4-(bromomethyl)benzene]
- 114315-76-3
- SCHEMBL10614694
-
- Inchi： 1S/C26H36Br2O2/c27-21-23-11-15-25(16-12-23)29-19-9-7-5-3-1-2-4-6-8-10-20-30-26-17-13-24(22-28)14-18-26/h11-18H,1-10,19-22H2
- InChI Key： CTGUXEOJTNKQGM-UHFFFAOYSA-N
- SMILES： BrCC1C=CC(=CC=1)OCCCCCCCCCCCCOC1C=CC(CBr)=CC=1
Computed Properties
- Exact Mass: 538.10828
- Monoisotopic Mass: 538.10821g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 30
- Rotatable Bond Count: 17
- Complexity: 341
- 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: 9.4
- Topological Polar Surface Area: 18.5?2
Experimental Properties
- PSA: 18.46
Benzene, 1,1'-[1,12-dodecanediylbis(oxy)]bis[4-(bromomethyl)- Related Literature
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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Brindha J.,Balamurali M. M.,Kaushik Chanda RSC Adv., 2019,9, 34720-34734
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Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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