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CAS Number: 153435-96-2
ethyl 4,6-dichloro-3-formyl-1H-indole-2-carboxylate

Structure

ethyl 4,6-dichloro-3-formyl-1H-indole-2-carboxylate
Name: ethyl 4,6-dichloro-3-formyl-1H-indole-2-carboxylate
Synonyms:
General Information
Product Number: 153435962
CAS Registry Number: 153435-96-2
Name:
1H-​Indole-​2-​carboxylic acid, 4,​6-​dichloro-​3-​formyl-​, ethyl ester
4,​6-​Dichloro-​3-​formyl-​1H-​indol-​2-​carboxylic acid ethyl ester; Ethyl 3-​formyl-​4,​6-​dichloroindole-​2-​carboxylate; Ethyl 4,​6-​dichloro-​3-​formyl-​2-​indolecarboxylate 
 
Chemical Formula: C12H9Cl2NO3
Exact Mass: 285.00
Molecular Weight: 286.11
m/z: 285.00 (100.0%), 286.99 (63.9%), 286.00 (13.2%), 288.99 (10.2%), 288.00 (8.5%), 287.00 (1.5%), 289.99 (1.4%)
Elemental Analysis: C, 50.38; H, 3.17; Cl, 24.78; N, 4.90; O, 16.78
 
InChI: InChI=1S/C12H9Cl2NO3/c1-2-18-12(17)11-7(5-16)10-8(14)3-6(13)4-9(10)15-11/h3-5,15H,2H2,1H3
InChIKey: NFILHPVBZNKVNP-UHFFFAOYSA-N
Canonical SMILES : CCOC(=O)C1=C(C2=C(C=C(C=C2N1)Cl)Cl)C=O
 
Thermal Properties Value Condition Note
Melting Point 216-217 °C   (1)CAS

Specification

98%

References
  1. (1) Baron, Bruce M.; Journal of Medicinal Chemistry 2005, V48(4), P995-1018 CAPLUS
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