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CAS Number: 1912-45-4
2-(5-chloro-1H-indol-3-yl)acetic acid

Structure

 2-(5-chloro-1H-indol-3-yl)acetic acid
Name: 2-(5-chloro-1H-indol-3-yl)acetic acid
Synonyms:
General Information
Product Number: 1912454

CAS Registry Number 1912-45-4
Name:
1H-?Indole-?3-?acetic acid, 5-?chloro-
Indole-3-acetic acid, 5-chloro- (7CI,8CI)
2-(5-Chloro-1H-indol-3-yl)acetic acid
5-Chloro-1H-indole-3-acetic acid
5-Chloro-IAA
5-Chloroindole-3-acetic acid

 

Chemical Formula: C10H8ClNO2
Exact Mass: 209.02
Molecular Weight: 209.63
m/z: 209.02 (100.0%), 211.02 (32.0%), 210.03 (11.0%), 212.02 (3.6%)

 

InChI:InChI=1S/C10H8ClNO2/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:ZEIRLSDFVXNFGG-UHFFFAOYSA-N

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

 

Thermal Properties Value Condition Note
Melting Point 158-159 °C   (1)CAS
Melting Point 156-159 °C (decomp)   (2)IC

Specification

98%
References
  1. (1) Fox, Sidney W.; US 2701251 1955 CAPLUS
  2. (2) Engvild, K. C.; Acta Chemica Scandinavica, Series B: Organic Chemistry and Biochemistry 1977, VB31(4), P338-9 CAPLUS
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