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CAS Number: 101861-63-6
4,6-dichloro-1H-indole-2-carboxylic acid

Structure

4,6-dichloro-1H-indole-2-carboxylic acid
Name: 4,6-dichloro-1H-indole-2-carboxylic acid
Synonyms:
General Information
Product Number: 101861636

CAS Registry Number 101861-63-6
Name:
1H-​Indole-​2-​carboxylic acid, 4,​6-​dichloro-
Indole-2-carboxylic acid, 4,6-dichloro- (6CI)
4,6-Dichloro-1H-indole-2-carboxylic acid
4,6-Dichloroindole-2-carboxylic acid

 

Chemical Formula: C9H5Cl2NO2
Exact Mass: 228.97
Molecular Weight: 230.05
m/z: 228.97 (100.0%), 230.97 (64.4%), 232.96 (10.2%), 229.97 (10.2%), 231.97 (6.3%), 233.97 (1.0%)

 

InChI:InChI=1S/C9H5Cl2NO2/c10-4-1-6(11)5-3-8(9(13)14)12-7(5)2-4/h1-3,12H,(H,13,14)

InChI Key:DHXISZKSSIWRLH-UHFFFAOYSA-N

Canonical SMILES:C1=C(C=C2C(=C1Cl)C=C(N2)C(=O)O)Cl

 

Thermal Properties Value Condition Note
Melting Point 238-239 °C   (1)IC

Specification

98%

References
  1. (1) Salituro, Francesco G.; Journal of Medicinal Chemistry 1990, V33(11), P2944-6 CAPLUS
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