958452-09-0 Purity
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Specification
The molecular formula of the compound is C9H12BFO3.
The molecular weight of the compound is 198.00 g/mol.
The IUPAC name of the compound is [2-(3-fluoropropoxy)phenyl]boronic acid.
The InChI of the compound is InChI=1S/C9H12BFO3/c11-6-3-7-14-9-5-2-1-4-8(9)10(12)13/h1-2,4-5,12-13H,3,6-7H2.
The InChIKey of the compound is YSTHFPLODUPIGB-UHFFFAOYSA-N.
The Canonical SMILES of the compound is B(C1=CC=CC=C1OCCCF)(O)O.
The CAS number of the compound is 958452-26-1.
There are 2 hydrogen bond donor counts in the compound.
There are 4 hydrogen bond acceptor counts in the compound.
There are 5 rotatable bond counts in the compound.