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CAS Number: 54629-13-9
2-(4-fluorophenoxy)nicotinic acid

Structure

2-(4-fluorophenoxy)nicotinic acid
Name: 2-(4-fluorophenoxy)nicotinic acid
Synonyms:
General Information
Product Number: 54629139

CAS Registry Number 54629-13-9
Name:
3-?Pyridinecarboxylic acid, 2-?(4-?fluorophenoxy)?-
2-(4-Fluorophenoxy)-3-pyridinecarboxylic acid
2-(4-Fluorophenoxy)nicotinic acid

 

Chemical Formula: C12H8FNO3
Exact Mass: 233.05
Molecular Weight: 233.20
m/z: 233.05 (100.0%), 234.05 (13.5%)

 

InChI:InChI=1S/C12H8FNO3/c13-8-3-5-9(6-4-8)17-11-10(12(15)16)2-1-7-14-11/h1-7H,(H,15,16)

InChI Key:SDZUYDOXBXHDCE-UHFFFAOYSA-N

Canonical SMILES:C1=CC(=C(N=C1)OC2=CC=C(C=C2)F)C(=O)O

 

Thermal Properties Value Condition Note
Melting Point 181-183 °C Solv: isopropanol (67-63-0) (2)IC
Melting Point 179-180 °C   (3)IC

Specification

98%

References
  1. (2) Villani, Frank J.; Journal of Medicinal Chemistry 1975, V18(1), P1-8 CAPLUS
  2. (3) Mikhalev, A. I.; Khimiya Geterotsiklicheskikh Soedinenii 1976, (9), P1235-8 CAPLUS
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