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CAS Number: 54904-23-3
3-(5-bromo-1H-indol-3-yl)propanoic acid

Structure

 3-(5-bromo-1H-indol-3-yl)propanoic acid
Name: 3-(5-bromo-1H-indol-3-yl)propanoic acid
Synonyms:
General Information
Product Number: 54904233

CAS Registry Number 54904-23-3
Name:
1H-?Indole-?3-?propanoic acid, 5-?bromo-

 

Chemical Formula: C11H10BrNO2
Exact Mass: 266.99
Molecular Weight: 268.11
m/z: 266.99 (100.0%), 268.99 (97.7%), 267.99 (12.3%), 269.99 (11.8%), 270.99 (1.1%)

 

InChI:InChI=1S/C11H10BrNO2/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:DRCUGRYTGTWNRN-UHFFFAOYSA-N

Canonical SMILES:C1=CC2=C(C=C1Br)C(=CN2)CCC(=O)O

Specification

98%
References

PCT Int. Appl. (2005), WO 2005009958 A1 20050203.

Journal of Medicinal Chemistry (2012), 55(22), 9467-9491.                                 
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