Cas no 142329-20-2 (Benzo[b]thiophene-2-carbonylchloride, 6-fluoro-)
![Benzo[b]thiophene-2-carbonylchloride, 6-fluoro- structure](https://ossimg.kuujia.com/scimg/142500/142329-20-2x500.png)
142329-20-2 structure
Product Name:Benzo[b]thiophene-2-carbonylchloride, 6-fluoro-
CAS No:142329-20-2
MF:C9H4ClFOS
MW:214.643863677979
CID:101156
PubChem ID:19088012
Update Time:2025-04-18
Benzo[b]thiophene-2-carbonylchloride, 6-fluoro- Chemical and Physical Properties
Names and Identifiers
-
- Benzo[b]thiophene-2-carbonylchloride, 6-fluoro-
- 6-fluoro-1-benzothiophene-2-carbonyl chloride
- 6-fluorobenzo[b]thiophene-2-carbonyl chloride
- AKOS017560502
- DTXSID80597943
- 142329-20-2
- 6-Fluorobenzo[b]thiophene-2-carbonylchloride
- Benzo[b]thiophene-2-carbonyl chloride, 6-fluoro- (9CI)
- SCHEMBL3064054
-
- Inchi： 1S/C9H4ClFOS/c10-9(12)8-3-5-1-2-6(11)4-7(5)13-8/h1-4H
- InChI Key： JTSBQVDTBOUFOX-UHFFFAOYSA-N
- SMILES： ClC(C1=CC2C=CC(=CC=2S1)F)=O
Computed Properties
- Exact Mass: 213.96562
- Monoisotopic Mass: 213.9655418g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- Rotatable Bond Count: 1
- Complexity: 224
- 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: 3.9
- Topological Polar Surface Area: 45.3?2
Experimental Properties
- PSA: 17.07
Benzo[b]thiophene-2-carbonylchloride, 6-fluoro- Related Literature
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Jadwiga Frelek,Marcin Górecki,Marta ?aszcz,Agata Suszczyńska,Elemér Vass,Wojciech J. Szczepek Chem. Commun., 2012,48, 5295-5297
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
-
Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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