Cas no 819883-39-1 (Octanoic acid, 8-bromo-, 12-bromododecyl ester)
819883-39-1 structure
Product Name:Octanoic acid, 8-bromo-, 12-bromododecyl ester
CAS No:819883-39-1
MF:C20H38Br2O2
MW:470.322525501251
CID:701779
PubChem ID:71420605
Update Time:2025-04-19
Octanoic acid, 8-bromo-, 12-bromododecyl ester Chemical and Physical Properties
Names and Identifiers
-
- Octanoic acid, 8-bromo-, 12-bromododecyl ester
- 12-bromododecyl 8-bromooctanoate
- DTXSID40839790
- 819883-39-1
-
- Inchi： 1S/C20H38Br2O2/c21-17-13-9-5-3-1-2-4-6-11-15-19-24-20(23)16-12-8-7-10-14-18-22/h1-19H2
- InChI Key： HNPQHNMAXGOOSL-UHFFFAOYSA-N
- SMILES： BrCCCCCCCCCCCCOC(CCCCCCCBr)=O
Computed Properties
- Exact Mass: 470.12181g/mol
- Monoisotopic Mass: 468.12386g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 24
- Rotatable Bond Count: 20
- Complexity: 260
- 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: 8.4
- Topological Polar Surface Area: 26.3?2
Octanoic acid, 8-bromo-, 12-bromododecyl ester Related Literature
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Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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