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CAS Number: 1092400-82-2
3-(5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl)benzoic acid

Structure

3-(5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl)benzoic acid
Name: 3-(5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl)benzoic acid
Synonyms:
General Information
Product Number: 1092400822

CAS Registry Number 1092400-82-2
Name:
Benzoic acid, 3-​[5-​(trifluoromethyl)​-​1,​2,​4-​oxadiazol-​3-​yl]​-
3-[5-(Trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzoic acid

 

Chemical Formula: C10H5F3N2O3
Exact Mass: 258.03
Molecular Weight: 258.15
m/z: 258.03 (100.0%), 259.03 (11.0%), 260.03 (1.2%)

 

InChI:InChI=1S/C10H5F3N2O3/c11-10(12,13)9-14-7(15-18-9)5-2-1-3-6(4-5)8(16)17/h1-4H,(H,16,17)

InChI Key:ZTOAUVQUTVRHBJ-UHFFFAOYSA-N

Canonical SMILES:C1=CC(=CC(=C1)C(=O)O)C2=NOC(=N2)C(F)(F)F

 

Thermal Properties Value Condition Note
Melting Point 114-117 °C   (1)CAS

Specification

98%

References

(1) Liu, Kun; Journal of Medicinal Chemistry 2008, V51(24), P7843-7854 CAPLUS

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