Cas no 826995-56-6 (Benzo[b]thiophene-2-carboxylic acid, 4,6-difluoro-)
826995-56-6 structure
Product Name:Benzo[b]thiophene-2-carboxylic acid, 4,6-difluoro-
CAS No:826995-56-6
MF:C9H4F2O2S
MW:214.188668251038
CID:686959
PubChem ID:71417898
Update Time:2025-04-19
Benzo[b]thiophene-2-carboxylic acid, 4,6-difluoro- Chemical and Physical Properties
Names and Identifiers
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- Benzo[b]thiophene-2-carboxylic acid, 4,6-difluoro-
- 4,6-difluoro-1-benzothiophene-2-carboxylic acid
- DTXSID10837228
- 826995-56-6
-
- Inchi: 1S/C9H4F2O2S/c10-4-1-6(11)5-3-8(9(12)13)14-7(5)2-4/h1-3H,(H,12,13)
- InChI Key: RLSMMULSYJJIAT-UHFFFAOYSA-N
- SMILES: S1C(C(=O)O)=CC2C(=CC(=CC1=2)F)F
Computed Properties
- Exact Mass: 213.99000686g/mol
- Monoisotopic Mass: 213.99000686g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 14
- Rotatable Bond Count: 1
- 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
- Topological Polar Surface Area: 65.5?2
Benzo[b]thiophene-2-carboxylic acid, 4,6-difluoro- Related Literature
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Hyejin Moon,Aaron R. Wheeler,Robin L. Garrell,Chang-Jin “CJ” Kim Lab Chip, 2006,6, 1213-1219
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Inês S. Albuquerque,Hélia F. Jeremias,Miguel Chaves-Ferreira,Dijana Matak-Vinkovic,Omar Boutureira,Carlos C. Rom?o Chem. Commun., 2015,51, 3993-3996
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4. An all-solid-state imprinted polymer-based potentiometric sensor for determination of bisphenol S?Rongning Liang,Tanji Yin,Ruiqing Yao,Wei Qin RSC Adv., 2016,6, 73308-73312
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