Cas no 59522-81-5 (Benzenesulfonyl chloride, acetyl-)
59522-81-5 structure
Product Name:Benzenesulfonyl chloride, acetyl-
CAS No:59522-81-5
MF:C8H7ClO3S
MW:218.657380342484
CID:338407
PubChem ID:16228288
Update Time:2025-04-19
Benzenesulfonyl chloride, acetyl- Chemical and Physical Properties
Names and Identifiers
-
- Benzenesulfonyl chloride, acetyl-
- 2-acetylbenzenesulfonyl chloride
- DTXSID10585510
- 59522-81-5
- SCHEMBL533002
- 2-Acetylbenzene-1-sulfonyl chloride
- AKOS006223879
-
- Inchi： 1S/C8H7ClO3S/c1-6(10)7-4-2-3-5-8(7)13(9,11)12/h2-5H,1H3
- InChI Key： LZSFYFURKZAZOU-UHFFFAOYSA-N
- SMILES： ClS(C1C=CC=CC=1C(C)=O)(=O)=O
Computed Properties
- Exact Mass: 217.98051
- Monoisotopic Mass: 217.9804429g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- Rotatable Bond Count: 2
- Complexity: 291
- 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: 1.6
- Topological Polar Surface Area: 59.6?2
Experimental Properties
- PSA: 51.21
Benzenesulfonyl chloride, acetyl- Related Literature
-
Inês S. Albuquerque,Hélia F. Jeremias,Miguel Chaves-Ferreira,Dijana Matak-Vinkovic,Omar Boutureira,Carlos C. Rom?o Chem. Commun., 2015,51, 3993-3996
-
Kaiyuan Huang,Wangkang Qiu,Meilian Ou,Xiaorui Liu,Zenan Liao,Sheng Chu RSC Adv., 2020,10, 18824-18829
-
Jieun Kim,Han-Saem Park,Tae-Hee Kim,Sung Yeol Kim,Hyun-Kon Song Phys. Chem. Chem. Phys., 2014,16, 5295-5300
-
Karl Crowley,Eimer O'Malley,Aoife Morrin,Malcolm R. Smyth,Anthony J. Killard Analyst, 2008,133, 391-399
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