Cas no 639824-52-5 (Bicyclo[4.2.0]octa-1,3,5-triene-3-sulfonyl chloride, 8-oxo-)
![Bicyclo[4.2.0]octa-1,3,5-triene-3-sulfonyl chloride, 8-oxo- structure](https://ossimg.kuujia.com/scimg/640000/639824-52-5x500.png)
639824-52-5 structure
Product Name:Bicyclo[4.2.0]octa-1,3,5-triene-3-sulfonyl chloride, 8-oxo-
CAS No:639824-52-5
MF:C8H5ClO3S
MW:216.641500234604
CID:425220
PubChem ID:12067471
Update Time:2025-04-19
Bicyclo[4.2.0]octa-1,3,5-triene-3-sulfonyl chloride, 8-oxo- Chemical and Physical Properties
Names and Identifiers
-
- Bicyclo[4.2.0]octa-1,3,5-triene-3-sulfonyl chloride, 8-oxo-
- 7-oxobicyclo[4.2.0]octa-1(6),2,4-triene-4-sulfonyl chloride
- KYXMIYWZYMZFDS-UHFFFAOYSA-N
- SCHEMBL7194507
- DTXSID90476876
- 5-Chlorosulfonylbenzocyclobutenone
- 639824-52-5
-
- Inchi： 1S/C8H5ClO3S/c9-13(11,12)6-2-1-5-3-8(10)7(5)4-6/h1-2,4H,3H2
- InChI Key： KYXMIYWZYMZFDS-UHFFFAOYSA-N
- SMILES： ClS(C1C=CC2CC(C=2C=1)=O)(=O)=O
Computed Properties
- Exact Mass: 215.96485
- Monoisotopic Mass: 215.9647929g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- Rotatable Bond Count: 1
- Complexity: 330
- 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: 0.8
- Topological Polar Surface Area: 59.6?2
Experimental Properties
- PSA: 51.21
Bicyclo[4.2.0]octa-1,3,5-triene-3-sulfonyl chloride, 8-oxo- Related Literature
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Matthew J. Gaunt,Jinquan Yu,Jonathan B. Spencer Chem. Commun., 2001, 1844-1845
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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