Cas no 826995-58-8 (Benzo[b]thiophene-2-carboxylic acid, 6-bromo-4-chloro-)
![Benzo[b]thiophene-2-carboxylic acid, 6-bromo-4-chloro- structure](https://ossimg.kuujia.com/scimg/827000/826995-58-8x500.png)
826995-58-8 structure
Product Name:Benzo[b]thiophene-2-carboxylic acid, 6-bromo-4-chloro-
CAS No:826995-58-8
MF:C9H4BrClO2S
MW:291.548859596252
CID:686957
PubChem ID:71417897
Update Time:2025-04-19
Benzo[b]thiophene-2-carboxylic acid, 6-bromo-4-chloro- Chemical and Physical Properties
Names and Identifiers
-
- Benzo[b]thiophene-2-carboxylic acid, 6-bromo-4-chloro-
- 6-bromo-4-chloro-1-benzothiophene-2-carboxylic acid
- DTXSID50837227
- 826995-58-8
-
- Inchi： 1S/C9H4BrClO2S/c10-4-1-6(11)5-3-8(9(12)13)14-7(5)2-4/h1-3H,(H,12,13)
- InChI Key： SSCDZZXTQACMKN-UHFFFAOYSA-N
- SMILES： BrC1C=C(C2C=C(C(=O)O)SC=2C=1)Cl
Computed Properties
- Exact Mass: 289.88039g/mol
- Monoisotopic Mass: 289.88039g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 14
- Rotatable Bond Count: 1
- Complexity: 251
- 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: 4.1
- Topological Polar Surface Area: 65.5?2
Benzo[b]thiophene-2-carboxylic acid, 6-bromo-4-chloro- Related Literature
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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5. Estimating and correcting interference fringes in infrared spectra in infrared hyperspectral imagingGhazal Azarfar,Ebrahim Aboualizadeh,Nicholas M. Walter,Simona Ratti,Camilla Olivieri,Alessandra Norici,Michael Nasse,Achim Kohler,Mario Giordano Analyst, 2018,143, 4674-4683
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