Cas no 59522-79-1 (Benzenesulfonyl chloride, benzoyl-)
59522-79-1 structure
Product Name:Benzenesulfonyl chloride, benzoyl-
CAS No:59522-79-1
MF:C13H9ClO3S
MW:280.726761579514
CID:338409
PubChem ID:15561592
Update Time:2025-04-19
Benzenesulfonyl chloride, benzoyl- Chemical and Physical Properties
Names and Identifiers
-
- Benzenesulfonyl chloride, benzoyl-
- 2-benzoylbenzenesulfonyl chloride
- 2-Benzoylbenzene-1-sulfonyl chloride
- 59522-79-1
- SCHEMBL7022695
- EN300-152622
- 2-Benzoylbenzene-1-sulfonylchloride
- DTXSID00574216
- 2-benzoylbenzenesulphonyl chloride
- 54075-06-8
-
- Inchi： 1S/C13H9ClO3S/c14-18(16,17)12-9-5-4-8-11(12)13(15)10-6-2-1-3-7-10/h1-9H
- InChI Key： WHJGMXCAZTYNOL-UHFFFAOYSA-N
- SMILES： ClS(C1C=CC=CC=1C(C1C=CC=CC=1)=O)(=O)=O
Computed Properties
- Exact Mass: 279.99617
- Monoisotopic Mass: 279.9960930g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 18
- Rotatable Bond Count: 3
- Complexity: 393
- 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: 3.3
- Topological Polar Surface Area: 59.6?2
Experimental Properties
- PSA: 51.21
Benzenesulfonyl chloride, benzoyl- Related Literature
-
Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
-
Luke L. Lairson,Warren W. Wakarchuk Chem. Commun., 2007, 365-367
-
Teresita Carrillo-Hernández,Philippe Schaeffer,Pierre Albrecht Chem. Commun., 2001, 1976-1977
-
Yaqing Liu,Jiangtao Ren,Jing Li,Jiyang Liu,Erkang Wang Chem. Commun., 2012,48, 802-804
-
Hamid Heydari,Mohammad B. Gholivand New J. Chem., 2017,41, 237-244
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