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CAS Number: 115754-21-7
3-fluoro-4-(trifluoromethyl)benzoic acid

Structure

3-fluoro-4-(trifluoromethyl)benzoic acid
Name: 3-fluoro-4-(trifluoromethyl)benzoic acid
Synonyms:
General Information
Product Number: 115754217
CAS Registry Number: 115754-21-7
Name:
Benzoic acid, 3-​fluoro-​4-​(trifluoromethyl)​-
3-​Fluoro-​4-​trifluoromethylbenzo​ic acid
 
Chemical Formula: C8H4F4O2
Exact Mass: 208.01
Molecular Weight: 208.11
m/z: 208.01 (100.0%), 209.02 (8.8%)
Elemental Analysis: C, 46.17; H, 1.94; F, 36.52; O, 15.38
 
InChI: InChI=1S/C8H4F4O2/c9-6-3-4(7(13)14)1-2-5(6)8(10,11)12/h1-3H,(H,13,14)
InChIKey: HRIHSNPFVGMAKX-UHFFFAOYSA-N
Canonical SMILES : C1=CC(=C(C=C1C(=O)O)F)C(F)(F)F

Specification

98%

References

PCT Int. Appl. (2014), WO 2014062549 A1 20140424.

PCT Int. Appl. (2014), WO 2014025651 A1 20140213.  

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