CAS
958452-13-6 Purity
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958452-13-6 Purity
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Specification
The molecular formula is C8H9BF2O3.
The molecular weight is 201.97 g/mol.
The IUPAC name is [2-(2,2-difluoroethoxy)phenyl]boronic acid.
The InChI key is OMRHZHWJZSONCS-UHFFFAOYSA-N.
The canonical SMILES is B(C1=CC=CC=C1OCC(F)F)(O)O.
The CAS number is 958452-29-4.
There are 2 hydrogen bond donor atoms.
There are 5 hydrogen bond acceptor atoms.
There are 4 rotatable bonds.
Yes, it is a canonicalized compound.