Cas no 344764-43-8 (1-Propanone, 3-chloro-1-(5-fluorobenzo[b]thien-3-yl)-)
![1-Propanone, 3-chloro-1-(5-fluorobenzo[b]thien-3-yl)- structure](https://ossimg.kuujia.com/scimg/345000/344764-43-8x500.png)
344764-43-8 structure
Product Name:1-Propanone, 3-chloro-1-(5-fluorobenzo[b]thien-3-yl)-
CAS No:344764-43-8
MF:C11H8ClFOS
MW:242.697024345398
CID:1468775
PubChem ID:10776593
Update Time:2025-04-20
1-Propanone, 3-chloro-1-(5-fluorobenzo[b]thien-3-yl)- Chemical and Physical Properties
Names and Identifiers
-
- 1-Propanone, 3-chloro-1-(5-fluorobenzo[b]thien-3-yl)-
- 344764-43-8
- 3-chloro-1-(5-fluoro-1-benzothien-3-yl)propan-1-one
- HICUGZLLPZOJAH-UHFFFAOYSA-N
- DTXSID201224679
- 3-Chloro-1-(5-fluorobenzo[b]thien-3-yl)-1-propanone
- SCHEMBL6384689
-
- Inchi： 1S/C11H8ClFOS/c12-4-3-10(14)9-6-15-11-2-1-7(13)5-8(9)11/h1-2,5-6H,3-4H2
- InChI Key： HICUGZLLPZOJAH-UHFFFAOYSA-N
- SMILES： ClCCC(C1=CSC2C=CC(=CC1=2)F)=O
Computed Properties
- Exact Mass: 241.99694
- Monoisotopic Mass: 241.9968419g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 15
- Rotatable Bond Count: 3
- Complexity: 249
- 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: 3.2
- Topological Polar Surface Area: 45.3?2
Experimental Properties
- PSA: 17.07
1-Propanone, 3-chloro-1-(5-fluorobenzo[b]thien-3-yl)- Related Literature
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Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
-
Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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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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