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CAS Number: 942077-16-9
3-cyano-5-(trifluoromethyl)benzoic acid

Structure

3-cyano-5-(trifluoromethyl)benzoic acid
Name: 3-cyano-5-(trifluoromethyl)benzoic acid
Synonyms:
General Information
Product Number: 942077169

CAS Registry Number 942077-16-9
Name:
Benzoic acid, 3-​cyano-​5-​(trifluoromethyl)​-
3-Cyano-5-(trifluoromethyl)benzoic acid

 

Chemical Formula: C9H4F3NO2
Exact Mass: 215.02
Molecular Weight: 215.13
m/z: 215.02 (100.0%), 216.02 (10.2%)

 

InChI:InChI=1S/C9H4F3NO2/c10-9(11,12)7-2-5(4-13)1-6(3-7)8(14)15/h1-3H,(H,14,15)

InChI Key:CILFQQDMSXNYDM-UHFFFAOYSA-N

Canonical SMILES:C1=C(C=C(C=C1C(=O)O)C(F)(F)F)C#N

Specification

98%

References

PCT Int. Appl. (2012), WO 2012117000 A1 20120907.

PCT Int. Appl. (2012), WO 2012099807 A1 20120726.                                  

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