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CAS Number: 40432-84-6
2-(5-bromo-1H-indol-3-yl)acetic acid

Structure

 2-(5-bromo-1H-indol-3-yl)acetic acid
Name: 2-(5-bromo-1H-indol-3-yl)acetic acid
Synonyms:
General Information
Product Number: 40432846

CAS Registry Number 40432-84-6
Name:
1H-?Indole-?3-?acetic acid, 5-?bromo-
(5-Bromo-1H-indol-3-yl)acetic acid
(5-Bromoindol-3-yl)acetic acid
2-(5-Bromo-1H-indol-3-yl)acetic acid
5-Bromo-3-indoleacetic acid
5-Bromo-IAA

 

Chemical Formula: C10H8BrNO2
Exact Mass: 252.97
Molecular Weight: 254.08
m/z: 252.97 (100.0%), 254.97 (97.3%), 253.98 (11.0%), 255.98 (10.7%)

 

InChI:InChI=1S/C10H8BrNO2/c11-7-1-2-9-8(4-7)6(5-12-9)3-10(13)14/h1-2,4-5,12H,3H2,(H,13,14)

InChI Key:WTFGHMZUJMRWBK-UHFFFAOYSA-N

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

Specification

98%
References

PCT Int. Appl. (2015), WO 2015103317 A1 20150709.

PCT Int. Appl. (2014), WO 2014113485 A1 20140724. 
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