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CAS Number: 54778-20-0
2-chloro-1H-indole-3-carboxylic acid

Structure

2-chloro-1H-indole-3-carboxylic acid
Name: 2-chloro-1H-indole-3-carboxylic acid
Synonyms:
General Information
Product Number: 54778200

CAS Registry Number 54778-20-0
Name:
1H-?Indole-?3-?carboxylic acid, 2-?chloro-
2-Chloroindole-3-carboxylic acid
NSC 234525

 

Chemical Formula: C9H6ClNO2
Exact Mass: 195.01
Molecular Weight: 195.60
m/z: 195.01 (100.0%), 197.01 (32.4%), 196.01 (10.2%), 198.01 (3.2%)

 

InChI:InChI=1S/C9H6ClNO2/c10-8-7(9(12)13)5-3-1-2-4-6(5)11-8/h1-4,11H,(H,12,13)

InChI Key:SXIIAHIAZAMFPW-UHFFFAOYSA-N

Canonical SMILES:C1=CC=C2C(=C1)C(=C(N2)Cl)C(=O)O

 

Thermal Properties Value Condition Note
Melting Point 160 °C Solv: ethanol (64-17-5); water (7732-18-5) (1)IC

Specification

98%

References

(1) Marchetti, Leonardo; Annali di Chimica (Rome, Italy) 1973, V63(9-10), P681-90 CAPLUS

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