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CAS Number: 187401-45-2
5-chloro-6-isopropoxynicotinic acid

Structure

5-chloro-6-isopropoxynicotinic acid
Name: 5-chloro-6-isopropoxynicotinic acid
Synonyms:
General Information
Product Number: 187401452

CAS Registry Number 187401-45-2
Name:
3-​Pyridinecarboxylic acid, 5-​chloro-​6-​(1-​methylethoxy)​-
5-Chloro-6-[(1-methylethyl)oxy]-3-pyridinecarboxylic acid
5-Chloro-6-isopropoxynicotinic acid

 

Chemical Formula: C9H10ClNO3
Exact Mass: 215.03
Molecular Weight: 215.63
m/z: 215.03 (100.0%), 217.03 (32.0%), 216.04 (10.0%), 218.04 (3.3%), 217.04 (1.1%)

 

InChI:InChI=1S/C9H10ClNO3/c1-5(2)14-8-7(10)3-6(4-11-8)9(12)13/h3-5H,1-2H3,(H,12,13)

InChI Key:PZDIVDDFLGKWID-UHFFFAOYSA-N

Canonical SMILES:CC(C)OC1=C(C=C(C=N1)C(=O)O)Cl

Specification

98%

References
  1. (1) Demont, Emmanuel H.; ACS Medicinal Chemistry Letters 2011, V2(6), P444-449 CAPLUS
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