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CAS Number: 223388-21-4
1-chloro-4-hydroxyisoquinoline-3-carboxylic acid

Structure

1-chloro-4-hydroxyisoquinoline-3-carboxylic acid
Name: 1-chloro-4-hydroxyisoquinoline-3-carboxylic acid
Synonyms:
General Information
Product Number: 223388214

CAS Registry Number 223388-21-4
Name:
3-​Isoquinolinecarboxyl​ic acid, 1-​chloro-​4-​hydroxy-
1-Chloro-4-hydroxyisoquinoline-3-carboxylic acid

 

Chemical Formula: C10H6ClNO3
Exact Mass: 223.00
Molecular Weight: 223.61
m/z: 223.00 (100.0%), 225.00 (32.0%), 224.01 (11.0%), 226.00 (3.6%), 225.01 (1.2%)

 

InChI:InChI=1S/C10H6ClNO3/c11-9-6-4-2-1-3-5(6)8(13)7(12-9)10(14)15/h1-4,13H,(H,14,15)

InChI Key:OBWMAIKNSCFJKC-UHFFFAOYSA-N

Canonical SMILES:C1=CC=C2C(=C1)C(=C(N=C2Cl)C(=O)O)O

Specification

98%

References
  1. (1) Thevis, Mario; Journal of the American Society for Mass Spectrometry 2008, V19(1), P151-158 CAPLUS
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