Cas no 72165-61-8 (Hexadecanoic acid, 4-chlorobutyl ester)
72165-61-8 structure
Product Name:Hexadecanoic acid, 4-chlorobutyl ester
CAS No:72165-61-8
MF:C20H39ClO2
MW:346.975466012955
CID:544425
PubChem ID:10860942
Update Time:2025-04-19
Hexadecanoic acid, 4-chlorobutyl ester Chemical and Physical Properties
Names and Identifiers
-
- Hexadecanoic acid, 4-chlorobutyl ester
- 4-chlorobutyl hexadecanoate
- 72165-61-8
- DTXSID70446239
-
- Inchi： 1S/C20H39ClO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-20(22)23-19-16-15-18-21/h2-19H2,1H3
- InChI Key： AVGCCERIVOYLCK-UHFFFAOYSA-N
- SMILES： ClCCCCOC(CCCCCCCCCCCCCCC)=O
Computed Properties
- Exact Mass: 346.26407
- Monoisotopic Mass: 346.2638582g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 23
- Rotatable Bond Count: 19
- Complexity: 244
- 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: 8.7
- Topological Polar Surface Area: 26.3?2
Experimental Properties
- PSA: 26.3
Hexadecanoic acid, 4-chlorobutyl ester Related Literature
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Byungho Lim,Jaewon Jin,Jin Yoo,Seung Yong Han,Kyeongyeol Kim,Sungah Kang,Nojin Park,Sang Moon Lee,Hae Jin Kim,Seung Uk Son Chem. Commun., 2014,50, 7723-7726
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Kevin M. Koo,Abu Ali Ibn Sina,Laura G. Carrascosa,Muhammad J. A. Shiddiky Analyst, 2014,139, 6178-6184
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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5. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
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