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CAS Number: 1994-13-4
6-fluoro-4-hydroxy-2H-chromen-2-one

Structure

 6-fluoro-4-hydroxy-2H-chromen-2-one
Name: 6-fluoro-4-hydroxy-2H-chromen-2-one
Synonyms:
General Information
Product Number: 1994134

CAS Registry Number 1994-13-4
Name:
2H-?1-?Benzopyran-?2-?one, 6-?fluoro-?4-?hydroxy-
Coumarin, 6-fluoro-4-hydroxy- (7CI,8CI)
6-Fluoro-4-hydroxycoumarin

 

Chemical Formula: C9H5FO3
Exact Mass: 180.02
Molecular Weight: 180.13
m/z: 180.02 (100.0%), 181.03 (9.9%), 182.03 (1.1%)

 

InChI:InChI=1S/C9H5FO3/c10-5-1-2-8-6(3-5)7(11)4-9(12)13-8/h1-4,11H

InChI Key:JCOYNGQUPPGRNB-UHFFFAOYSA-N

Canonical SMILES:C1=CC2=C(C=C1F)C(=CC(=O)O2)O

 

Thermal Properties Value Condition Note
Melting Point 245-246 °C Solv: methanol (67-56-1) (3)CAS
Melting Point 240-241 °C   (1)CAS

Specification

98%
References
  1. (1) Nolan, Karen A.; Journal of Medicinal Chemistry 2009, V52(22), P7142-7156 CAPLUS
  2. (3) Gong, Deng-Huang; Chinese Journal of Chemistry 2004, V22(9), P925-931 CAPLUS
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