CAS
902745-52-2 Purity
96%
902745-52-2 Purity
96%
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The molecular formula is C7H5BClF3O3.
The molecular weight is 240.37 g/mol.
The IUPAC name is [4-chloro-3-(trifluoromethoxy)phenyl]boronic acid.
The InChI is InChI=1S/C7H5BClF3O3/c9-5-2-1-4(8(13)14)3-6(5)15-7(10,11)12/h1-3,13-14H.
The InChIKey is ZTIWEYMDQDWLHC-UHFFFAOYSA-N.
The canonical SMILES is B(C1=CC(=C(C=C1)Cl)OC(F)(F)F)(O)O.
The CAS number is 902757-07-7.
The European Community (EC) number is 846-263-2.
It has 2 hydrogen bond donor counts.
It has 6 hydrogen bond acceptor counts.