Cas no 53548-20-2 (Propanoic acid, 2-(2,4,6-trichlorophenoxy)-, (R)-)
53548-20-2 structure
Product Name:Propanoic acid, 2-(2,4,6-trichlorophenoxy)-, (R)-
CAS No:53548-20-2
MF:C9H7Cl3O3
MW:269.509080171585
CID:357005
PubChem ID:41097454
Update Time:2025-04-19
Propanoic acid, 2-(2,4,6-trichlorophenoxy)-, (R)- Chemical and Physical Properties
Names and Identifiers
-
- Propanoic acid, 2-(2,4,6-trichlorophenoxy)-, (R)-
- DTXSID20654645
- 53548-20-2
- (2R)-2-(2,4,6-Trichlorophenoxy)propanoic acid
-
- Inchi： 1S/C9H7Cl3O3/c1-4(9(13)14)15-8-6(11)2-5(10)3-7(8)12/h2-4H,1H3,(H,13,14)/t4-/m1/s1
- InChI Key： HNDLJIIQWDVRRI-SCSAIBSYSA-N
- SMILES： ClC1C=C(C=C(C=1O[C@@H](C(=O)O)C)Cl)Cl
Computed Properties
- Exact Mass: 267.94621
- Monoisotopic Mass: 267.946077g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 15
- Rotatable Bond Count: 3
- Complexity: 225
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 1
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.8
- Topological Polar Surface Area: 46.5?2
Experimental Properties
- PSA: 46.53
Propanoic acid, 2-(2,4,6-trichlorophenoxy)-, (R)- Related Literature
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James D. Kirkham,Patrick M. Delaney,George J. Ellames,Eleanor C. Row,Joseph P. A. Harrity Chem. Commun., 2010,46, 5154-5156
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Jieun Kim,Han-Saem Park,Tae-Hee Kim,Sung Yeol Kim,Hyun-Kon Song Phys. Chem. Chem. Phys., 2014,16, 5295-5300
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3. An investigation of the electrochemical delithiation process of carbon coated α-Fe2O3nanoparticlesAdrian Brandt,Florian Winter,Sebastian Klamor,Frank Berkemeier,Jatinkumar Rana,Rainer P?ttgen,Andrea Balducci J. Mater. Chem. A, 2013,1, 11229-11236
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Mark D. Allendorf,Alauddin Ahmed,Tom Autrey,Jeffrey Camp,Eun Seon Cho,Maciej Haranczyk,Abhi Karkamkar,Di-Jia Liu,Katie R. Meihaus,Iffat H. Nayyar,Roman Nazarov,Donald J. Siegel,Vitalie Stavila,Jeffrey J. Urban,Srimukh Prasad Veccham,Brandon C. Wood Energy Environ. Sci., 2018,11, 2784-2812
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