Cas no 62285-02-3 (Hexanoic acid, 2,4-dibromo-, 9,10-dibromooctadecyl ester)
62285-02-3 structure
Product Name:Hexanoic acid, 2,4-dibromo-, 9,10-dibromooctadecyl ester
CAS No:62285-02-3
MF:C24H44Br4O2
MW:684.220965385437
CID:450843
PubChem ID:71387935
Update Time:2025-04-19
Hexanoic acid, 2,4-dibromo-, 9,10-dibromooctadecyl ester Chemical and Physical Properties
Names and Identifiers
-
- Hexanoic acid, 2,4-dibromo-, 9,10-dibromooctadecyl ester
- 9,10-dibromooctadecyl 2,4-dibromohexanoate
- DTXSID80810028
- 62285-02-3
-
- Inchi： 1S/C24H44Br4O2/c1-3-5-6-7-10-13-16-21(26)22(27)17-14-11-8-9-12-15-18-30-24(29)23(28)19-20(25)4-2/h20-23H,3-19H2,1-2H3
- InChI Key： KEKQZGOCHABWCH-UHFFFAOYSA-N
- SMILES： BrC(CCCCCCCCOC(C(CC(CC)Br)Br)=O)C(CCCCCCCC)Br
Computed Properties
- Exact Mass: 680.00752
- Monoisotopic Mass: 680.00748g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 30
- Rotatable Bond Count: 22
- Complexity: 395
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 4
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 11.7
- Topological Polar Surface Area: 26.3?2
Experimental Properties
- PSA: 26.3
Hexanoic acid, 2,4-dibromo-, 9,10-dibromooctadecyl ester Related Literature
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P. K. Wawrzyniak,M. T. P. Beerepoot,H. J. M. de Groot,F. Buda Phys. Chem. Chem. Phys., 2011,13, 10270-10279
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Karl Crowley,Eimer O'Malley,Aoife Morrin,Malcolm R. Smyth,Anthony J. Killard Analyst, 2008,133, 391-399
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Kaiyuan Huang,Wangkang Qiu,Meilian Ou,Xiaorui Liu,Zenan Liao,Sheng Chu RSC Adv., 2020,10, 18824-18829
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Siquan Zhang,Shengyao Wang,Liping Guo,Hao Chen,Bien Tan,Shangbin Jin J. Mater. Chem. C, 2020,8, 192-200
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Cheng Fang,Jinjian Wu,Zahra Sobhani,Md. Al Amin,Youhong Tang Anal. Methods, 2019,11, 163-170
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