1394346-22-5 Purity
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Specification
The molecular formula of 2-(Trifluoromethyl)phenylboronic acid is C7H6BF3O2.
The molecular weight of 2-(Trifluoromethyl)phenylboronic acid is 189.93 g/mol.
The IUPAC name of 2-(Trifluoromethyl)phenylboronic acid is [2-(trifluoromethyl)phenyl]boronic acid.
The InChI of 2-(Trifluoromethyl)phenylboronic acid is InChI=1S/C7H6BF3O2/c9-7(10,11)5-3-1-2-4-6(5)8(12)13/h1-4,12-13H.
The InChIKey of 2-(Trifluoromethyl)phenylboronic acid is JNSBEPKGFVENFS-UHFFFAOYSA-N.
The canonical SMILES of 2-(Trifluoromethyl)phenylboronic acid is B(C1=CC=CC=C1C(F)(F)F)(O)O.
The CAS number of 2-(Trifluoromethyl)phenylboronic acid is 1423-27-4.
The European Community (EC) number of 2-(Trifluoromethyl)phenylboronic acid is 640-203-7.
The ChEMBL ID of 2-(Trifluoromethyl)phenylboronic acid is CHEMBL349181.
Yes, 2-(Trifluoromethyl)phenylboronic acid is a canonicalized compound.
Reference: [1] Patent: CN104311587, 2017, B, . Location in patent: Paragraph 0068; 0069; 0070
Reference: [1] Bioorganic and Medicinal Chemistry Letters, 2017, vol. 27, # 9, p. 1919 - 1922
Reference: [1]Bioorganic and Medicinal Chemistry Letters,1999,vol. 9,p. 1063 - 1066
Reference: [1]Patent: WO2007/123941,2007,A2 .Location in patent: Page/Page column 77
Reference: [1] Organic Letters, 2017, vol. 19, # 24, p. 6510 - 6513
* For details of the synthesis route, please refer to the original source to ensure accuracy.