Cas no 89876-56-2 (Butanoic acid, 2-bromo-, octadecyl ester)
89876-56-2 structure
Product Name:Butanoic acid, 2-bromo-, octadecyl ester
CAS No:89876-56-2
MF:C22H43BrO2
MW:419.479626893997
CID:586248
PubChem ID:71326685
Update Time:2025-04-19
Butanoic acid, 2-bromo-, octadecyl ester Chemical and Physical Properties
Names and Identifiers
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- Butanoic acid, 2-bromo-, octadecyl ester
- octadecyl 2-bromobutanoate
- 89876-56-2
- DTXSID20755828
-
- Inchi： 1S/C22H43BrO2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25-22(24)21(23)4-2/h21H,3-20H2,1-2H3
- InChI Key： JZPYWNAFIWPQPR-UHFFFAOYSA-N
- SMILES： BrC(CC)C(=O)OCCCCCCCCCCCCCCCCCC
Computed Properties
- Exact Mass: 418.24464g/mol
- Monoisotopic Mass: 418.24464g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 25
- Rotatable Bond Count: 20
- Complexity: 281
- 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: 10.7
- Topological Polar Surface Area: 26.3?2
Butanoic acid, 2-bromo-, octadecyl ester Related Literature
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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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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Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
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4. 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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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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