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CAS Number: 50451-84-8
5-chloro-3-methylbenzo[b]thiophene-2-carboxylic acid

Structure

5-chloro-3-methylbenzo[b]thiophene-2-carboxylic acid
Name: 5-chloro-3-methylbenzo[b]thiophene-2-carboxylic acid
Synonyms:
General Information
Product Number: 50451848

CAS Registry Number 50451-84-8
Name:
Benzo[b]​thiophene-​2-​carboxylic acid, 5-​chloro-​3-​methyl-
5-Chloro-3-methyl-1-benzothiophene-2-carboxylic acid
5-Chloro-3-methylbenzo[b]thiophene-2-carboxylic acid

 

Chemical Formula: C10H7ClO2S
Exact Mass: 225.99
Molecular Weight: 226.68
m/z: 225.99 (100.0%), 227.98 (36.5%), 226.99 (11.0%), 228.99 (3.6%), 229.98 (1.5%), 227.99 (1.0%)

 

InChI:InChI=1S/C10H7ClO2S/c1-5-7-4-6(11)2-3-8(7)14-9(5)10(12)13/h2-4H,1H3,(H,12,13)

InChI Key:KEYCXZNZFABITO-UHFFFAOYSA-N

Canonical SMILES:CC1=C(SC2=C1C=C(C=C2)Cl)C(=O)O

Specification

98%

References

PCT Int. Appl. (2012), WO 2012054721 A1 20120426. 

PCT Int. Appl. (2012), WO 2012030907 A1 20120308.                                 

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