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CAS Number: 453565-90-7
3-bromo-5-(trifluoromethoxy)benzoic acid

Structure

3-bromo-5-(trifluoromethoxy)benzoic acid
Name: 3-bromo-5-(trifluoromethoxy)benzoic acid
Synonyms:
General Information
Product Number: 453565907
CAS Registry Number: 453565-90-7
Name:
        Benzoic acid, 3-​bromo-​5-​(trifluoromethoxy)​-
        3-​Bromo-​5-​trifluoromethoxybenz​oic acid
 
Chemical Formula: C8H4BrF3O3
Exact Mass: 283.93
Molecular Weight: 285.01
m/z: 283.93 (100.0%), 285.93 (97.9%), 284.93 (8.8%), 286.93 (8.6%)
Elemental Analysis: C, 33.71; H, 1.41; Br, 28.04; F, 20.00; O, 16.84
 
InChI: InChI=1S/C8H4BrF3O3/c9-5-1-4(7(13)14)2-6(3-5)15-8(10,11)12/h1-3H,(H,13,14)
InChIKey: OYWFMHKHBDYTKB-UHFFFAOYSA-N
Canonical SMILES : C1=C(C=C(C=C1OC(F)(F)F)Br)C(=O)O 

Specification

98%

References

PCT Int. Appl. (2014), WO 2014033447 A2 20140306.                                 

PCT Int. Appl. (2014), WO 2014033446 A1 20140306.

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