Cas no 821015-82-1 (Octanedioic acid, 8-bromooctyl ethyl ester)
821015-82-1 structure
Product Name:Octanedioic acid, 8-bromooctyl ethyl ester
CAS No:821015-82-1
MF:C18H33BrO4
MW:393.356225728989
CID:698036
PubChem ID:71420053
Update Time:2025-04-19
Octanedioic acid, 8-bromooctyl ethyl ester Chemical and Physical Properties
Names and Identifiers
-
- Octanedioic acid, 8-bromooctyl ethyl ester
- 8-O-(8-bromooctyl) 1-O-ethyl octanedioate
- 821015-82-1
- 8-Bromooctyl ethyl octanedioate
- DTXSID70839263
-
- Inchi： 1S/C18H33BrO4/c1-2-22-17(20)13-9-5-6-10-14-18(21)23-16-12-8-4-3-7-11-15-19/h2-16H2,1H3
- InChI Key： BWEYUZOLPRCJLE-UHFFFAOYSA-N
- SMILES： BrCCCCCCCCOC(CCCCCCC(=O)OCC)=O
Computed Properties
- Exact Mass: 392.15622g/mol
- Monoisotopic Mass: 392.15622g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 23
- Rotatable Bond Count: 18
- Complexity: 295
- 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: 5.3
- Topological Polar Surface Area: 52.6?2
Octanedioic acid, 8-bromooctyl ethyl ester Related Literature
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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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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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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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