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CAS Number: 886498-89-1
3-fluoro-4-(trifluoromethoxy)benzoic acid

Structure

3-fluoro-4-(trifluoromethoxy)benzoic acid
Name: 3-fluoro-4-(trifluoromethoxy)benzoic acid
Synonyms:
General Information
Product Number: 886498891
CAS Registry Number: 886498-89-1
Name:
        Benzoic acid, 3-​fluoro-​4-​(trifluoromethoxy)​-
        3-​Fluoro-​4-​trifluoromethoxybenz​oic acid 
 
Chemical Formula: C8H4F4O3
Exact Mass: 224.01
Molecular Weight: 224.11
m/z: 224.01 (100.0%), 225.01 (8.8%)
Elemental Analysis: C, 42.87; H, 1.80; F, 33.91; O, 21.42
 
InChI: InChI=1S/C8H4F4O3/c9-5-3-4(7(13)14)1-2-6(5)15-8(10,11)12/h1-3H,(H,13,14)
InChIKey: PIBFTHWKVKHHMA-UHFFFAOYSA-N
Canonical SMILES : C1=CC(=C(C=C1C(=O)O)F)OC(F)(F)F
 

Specification

98%

References

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

PCT Int. Appl. (2013), WO 2013161913 A1 20131031.

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