Cas no 279246-24-1 (1,1'-Biphenyl, 4-chloro-4'-(methylsulfonyl)-)
279246-24-1 structure
Product Name:1,1'-Biphenyl, 4-chloro-4'-(methylsulfonyl)-
CAS No:279246-24-1
MF:C13H11ClO2S
MW:266.743241548538
CID:1433182
PubChem ID:21700063
Update Time:2025-04-20
1,1'-Biphenyl, 4-chloro-4'-(methylsulfonyl)- Chemical and Physical Properties
Names and Identifiers
-
- 1,1'-Biphenyl, 4-chloro-4'-(methylsulfonyl)-
- SCHEMBL5052857
- 4-Chloro-4'-(methylsulfonyl)-1,1'-biphenyl
- DB-153841
- 279246-24-1
-
- Inchi： 1S/C13H11ClO2S/c1-17(15,16)13-8-4-11(5-9-13)10-2-6-12(14)7-3-10/h2-9H,1H3
- InChI Key： DGCXRHVJOQQNLW-UHFFFAOYSA-N
- SMILES： ClC1C=CC(=CC=1)C1C=CC(=CC=1)S(C)(=O)=O
Computed Properties
- Exact Mass: 266.0168285g/mol
- Monoisotopic Mass: 266.0168285g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 17
- Rotatable Bond Count: 2
- Complexity: 331
- 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: 4.2
- Topological Polar Surface Area: 42.5?2
1,1'-Biphenyl, 4-chloro-4'-(methylsulfonyl)- Related Literature
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Stephen P. Fletcher,Richard B. C. Jagt,Ben L. Feringa Chem. Commun., 2007, 2578-2580
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Inês S. Albuquerque,Hélia F. Jeremias,Miguel Chaves-Ferreira,Dijana Matak-Vinkovic,Omar Boutureira,Carlos C. Rom?o Chem. Commun., 2015,51, 3993-3996
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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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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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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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