CAS
1001907-57-8 Purity
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1001907-57-8 Purity
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The molecular formula is C8H7BF4O3.
The PubChem CID is 57497271.
The IUPAC name is [3-fluoro-4-methoxy-5-(trifluoromethyl)phenyl]boronic acid.
The InChI is InChI=1S/C8H7BF4O3/c1-16-7-5(8(11,12)13)2-4(9(14)15)3-6(7)10/h2-3,14-15H,1H3.
The InChIKey is CZPHNKXASONXJX-UHFFFAOYSA-N.
The canonical SMILES is B(C1=CC(=C(C(=C1)F)OC)C(F)(F)F)(O)O.
The molecular weight is 237.95 g/mol.
There are 2 hydrogen bond donor counts.
There are 7 hydrogen bond acceptor counts.
There are 2 rotatable bond counts.