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CAS Number: 54904-22-2
3-(5-chloro-1H-indol-3-yl)propanoic acid

Structure

 3-(5-chloro-1H-indol-3-yl)propanoic acid
Name: 3-(5-chloro-1H-indol-3-yl)propanoic acid
Synonyms:
General Information
Product Number: 54904222

CAS Registry Number 54904-22-2
Name:
1H-?Indole-?3-?propanoic acid, 5-?chloro-
5-Chloro-1H-indole-3-propanoic acid
3-(5-Chloro-1H-indol-3-yl)propanoic acid
3-(5-Chloro-3-1H-indolyl)propanoic acid
5-Chloroindole-3-propionic acid

 

Chemical Formula: C11H10ClNO2
Exact Mass: 223.04
Molecular Weight: 223.66
m/z: 223.04 (100.0%), 225.04 (32.4%), 224.04 (12.3%), 226.04 (3.9%)

 

InChI:InChI=1S/C11H10ClNO2/c12-8-2-3-10-9(5-8)7(6-13-10)1-4-11(14)15/h2-3,5-6,13H,1,4H2,(H,14,15)

InChI Key:IUIMRMMVZDAFQI-UHFFFAOYSA-N

Canonical SMILES:C1=CC2=C(C=C1Cl)C(=CN2)CCC(=O)O

Specification

98%
References

PCT Int. Appl. (2013), WO 2013128465 A1 20130906.                                  

PCT Int. Appl. (2010), WO 2010142801 A1 20101216.                                  
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