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CAS Number: 21211-09-6
3-chlorobenzo[b]thiophene-2-carboxamide

Structure

 3-chlorobenzo[b]thiophene-2-carboxamide
Name: 3-chlorobenzo[b]thiophene-2-carboxamide
Synonyms:
General Information
Product Number: 21211096

CAS Registry Number 21211-09-6
Name:
Benzo[b]?thiophene-?2-?carboxamide, 3-?chloro-
3-Chlorobenzo[b]thiophene-2-carboxamide

 

Chemical Formula: C9H6ClNOS
Exact Mass: 210.99
Molecular Weight: 211.67
m/z: 210.99 (100.0%), 212.98 (36.5%), 211.99 (10.6%), 213.99 (3.6%), 214.98 (1.5%)

 

InChI:InChI=1S/C9H6ClNOS/c10-7-5-3-1-2-4-6(5)13-8(7)9(11)12/h1-4H,(H2,11,12)

InChI Key:XAELQWGFCUUJNM-UHFFFAOYSA-N

Canonical SMILES:C1=CC=C2C(=C1)C(=C(S2)C(=O)N)Cl

 

Thermal Properties Value Condition Note
Melting Point 235-236 °C   (3)IC
Melting Point 119-121 °C   (4)IC

Specification

98%
References
  1. (3) Moll, Rainer; Zeitschrift fuer Chemie 1977, V17(4), P133-4 CAPLUS
  2. (4) Jayachandran, T.; Indian Journal of Chemistry, Section B: Organic Chemistry Including Medicinal Chemistry 1986, V25B(1), P89-91 CAPLUS
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