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CAS Number: 70060-13-8
5-fluorobenzo[b]thiophene-2-carboxylic acid

Structure

5-fluorobenzo[b]thiophene-2-carboxylic acid
Name: 5-fluorobenzo[b]thiophene-2-carboxylic acid
Synonyms:
General Information
Product Number: 70060138

CAS Registry Number 70060-13-8
Name:
Benzo[b]?thiophene-?2-?carboxylic acid, 5-?fluoro-
5-Fluorobenzo[b]thiophene-2-carboxylic acid
5-Fluoro-1-benzothiophene-2-carboxylic acid
5-Fluorobenzothiophene-2-carboxylic acid

 

Chemical Formula: C9H5FO2S
Exact Mass: 196.00
Molecular Weight: 196.20
m/z: 196.00 (100.0%), 197.00 (10.6%), 198.00 (5.0%)

 

InChI:InChI=1S/C9H5FO2S/c10-6-1-2-7-5(3-6)4-8(13-7)9(11)12/h1-4H,(H,11,12)

InChI Key:PLVPMOSTGNZKQQ-UHFFFAOYSA-N

Canonical SMILES:C1=CC2=C(C=C1F)C=C(S2)C(=O)O

 

Thermal Properties Value Condition Note
Melting Point 229-230 °C (decomp)   (2)IC

Specification

98%

References

(2) Gronowitz, Salo; Acta Pharmaceutica Suecica 1978, V15(5), P368-81 CAPLUS

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