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CAS Number: 1000931-46-3
4-(trifluoromethyl)pyrimidine-2-carboxylic acid

Structure

4-(trifluoromethyl)pyrimidine-2-carboxylic acid
Name: 4-(trifluoromethyl)pyrimidine-2-carboxylic acid
Synonyms:
General Information
Product Number: 1000931463
CAS Registry Number: 1000931-46-3
Name:
        2-​Pyrimidinecarboxylic acid, 4-​(trifluoromethyl)​-
        4-​Trifluoromethylpyrim​idine-​2-​carboxylic acid 
 
Chemical Formula: C6H3F3N2O2
Exact Mass: 192.01
Molecular Weight: 192.10
m/z: 192.01 (100.0%), 193.02 (6.6%)
Elemental Analysis: C, 37.51; H, 1.57; F, 29.67; N, 14.58; O, 16.66
 
InChI: InChI=1S/C6H3F3N2O2/c7-6(8,9)3-1-2-10-4(11-3)5(12)13/h1-2H,(H,12,13)
InChIKey: RYIFBKCEVLTAOZ-UHFFFAOYSA-N
Canonical SMILES : C1=CN=C(N=C1C(F)(F)F)C(=O)O

Specification

98%

References

PCT Int. Appl. (2013), WO 2013102431 A1 20130711.

PCT Int. Appl. (2013), WO 2013087805 A1 20130620. 

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