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CAS Number: 68886-11-3
2-(5-chloro-2-fluoro-4-hydroxyphenyl)acetic acid

Structure

2-(5-chloro-2-fluoro-4-hydroxyphenyl)acetic acid
Name: 2-(5-chloro-2-fluoro-4-hydroxyphenyl)acetic acid
Synonyms:
General Information
Product Number: 68886113

CAS Registry Number 68886-11-3
Name:
Benzeneacetic acid, 5-?chloro-?2-?fluoro-?4-?hydroxy-

 

Chemical Formula: C8H6ClFO3
Exact Mass: 204.00
Molecular Weight: 204.58
m/z: 204.00 (100.0%), 206.00 (32.6%), 205.00 (8.8%), 207.00 (2.8%)

 

InChI:InChI=1S/C14H11N3O6/c1-9(18)15-10-3-2-4-12(7-10)23-14-6-5-11(16(19)20)8-13(14)17(21)22/h2-8H,1H3,(H,15,18)

InChI Key:AQNPQPODGREWHN-UHFFFAOYSA-N

Canonical SMILES:CC(=O)NC1=CC(=CC=C1)OC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

 

Thermal Properties Value Condition Note
Melting Point 140 °C   (1)CAS

Specification

98%

References
  1. (1) Milne, Jacqueline E.; Journal of Organic Chemistry 2011, V76(22), P9519-9524 CAPLUS
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