Cas no 69606-16-2 (Ethanone, 2,2-dihydroxy-1-(2,4,5-trichlorophenyl)-)
69606-16-2 structure
Product Name:Ethanone, 2,2-dihydroxy-1-(2,4,5-trichlorophenyl)-
CAS No:69606-16-2
MF:C8H5Cl3O3
MW:255.482499837875
CID:1738372
PubChem ID:85972340
Update Time:2025-04-21
Ethanone, 2,2-dihydroxy-1-(2,4,5-trichlorophenyl)- Chemical and Physical Properties
Names and Identifiers
-
- Ethanone, 2,2-dihydroxy-1-(2,4,5-trichlorophenyl)-
- 69606-16-2
- 2,2-Dihydroxy-1-(2,4,5-trichlorophenyl)ethan-1-one
-
- Inchi: 1S/C8H5Cl3O3/c9-4-2-6(11)5(10)1-3(4)7(12)8(13)14/h1-2,8,13-14H
- InChI Key: ABFZUCSXONSQCI-UHFFFAOYSA-N
- SMILES: ClC1C=C(C(=CC=1C(C(O)O)=O)Cl)Cl
Computed Properties
- Exact Mass: 253.93055
- Monoisotopic Mass: 253.930427g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 14
- Rotatable Bond Count: 2
- Complexity: 222
- 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: 2.3
- Topological Polar Surface Area: 57.5?2
Experimental Properties
- PSA: 57.53
Ethanone, 2,2-dihydroxy-1-(2,4,5-trichlorophenyl)- 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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Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
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Daniel Messmer,Stefan Salentinig,Jakob Heier Nanoscale, 2019,11, 6929-6938
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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Jonas Kind,Lukas Kaltschnee,Martin Leyendecker,Christina M. Thiele Chem. Commun., 2016,52, 12506-12509
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