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CAS Number: 625120-13-0
ethyl 5-(trifluoromethyl)isoxazole-3-carboxylate

Structure

ethyl 5-(trifluoromethyl)isoxazole-3-carboxylate
Name: ethyl 5-(trifluoromethyl)isoxazole-3-carboxylate
Synonyms:
General Information
Product Number: 625120130

CAS Registry Number 625120-13-0
Name:
3-​Isoxazolecarboxylic acid, 5-​(trifluoromethyl)​-​, ethyl ester

 

Chemical Formula: C7H6F3NO3
Exact Mass: 209.03
Molecular Weight: 209.12
m/z: 209.03 (100.0%), 210.03 (8.1%)

 

InChI:InChI=1S/C7H6F3NO3/c1-2-13-6(12)4-3-5(14-11-4)7(8,9)10/h3H,2H2,1H3

InChI Key:BTSIAEREMKEHPF-UHFFFAOYSA-N

Canonical SMILES:CCOC(=O)C1=NOC(=C1)C(F)(F)F

Specification

98%

References

PCT Int. Appl. (2012), WO 2012032018 A1 20120315.                                 

PCT Int. Appl. (2003), WO 2003093250 A2 20031113.

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