CAS
1261169-72-5 Purity
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1261169-72-5 Purity
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The molecular formula is C8H9BF2O4.
The molecular weight is 217.96 g/mol.
It was created on August 8, 2012.
It was last modified on December 2, 2023.
The IUPAC name is [2,5-difluoro-4-(methoxymethoxy)phenyl]boronic acid.
The InChI is InChI=1S/C8H9BF2O4/c1-14-4-15-8-3-6(10)5(9(12)13)2-7(8)11/h2-3,12-13H,4H2,1H3.
The InChIKey is XQIXENAYGSXYMJ-UHFFFAOYSA-N.
The canonical SMILES is B(C1=CC(=C(C=C1F)OCOC)F)(O)O.
It has 2 hydrogen bond donor counts.
It has 6 hydrogen bond acceptor counts.