Cas no 86711-89-9 (Butanoic acid, 2-bromo-, hexadecyl ester)
86711-89-9 structure
Product Name:Butanoic acid, 2-bromo-, hexadecyl ester
CAS No:86711-89-9
MF:C20H39BrO2
MW:391.426466226578
CID:660829
PubChem ID:527513
Update Time:2025-04-19
Butanoic acid, 2-bromo-, hexadecyl ester Chemical and Physical Properties
Names and Identifiers
-
- Butanoic acid, 2-bromo-, hexadecyl ester
- hexadecyl 2-bromobutanoate
- DTXSID80335822
- DWBJZRRQROSBIE-UHFFFAOYSA-N
- 86711-89-9
-
- Inchi： 1S/C20H39BrO2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-20(22)19(21)4-2/h19H,3-18H2,1-2H3
- InChI Key： DWBJZRRQROSBIE-UHFFFAOYSA-N
- SMILES： BrC(CC)C(=O)OCCCCCCCCCCCCCCCC
Computed Properties
- Exact Mass: 390.21334g/mol
- Monoisotopic Mass: 390.21334g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 23
- Rotatable Bond Count: 18
- Complexity: 256
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 9.6
- Topological Polar Surface Area: 26.3?2
Butanoic acid, 2-bromo-, hexadecyl ester Related Literature
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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3. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
86711-89-9 (Butanoic acid, 2-bromo-, hexadecyl ester) Related Products
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