CAS
27913-58-2 Purity
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27913-58-2 Purity
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Specification
The molecular formula is C8H10BFO3.
The molecular weight is 183.97 g/mol.
The IUPAC name is (4-ethoxy-2-fluorophenyl)boronic acid.
The InChI code is InChI=1S/C8H10BFO3/c1-2-13-6-3-4-7(9(11)12)8(10)5-6/h3-5,11-12H,2H2,1H3.
The InChIKey is OPBZIEMMNXUXAK-UHFFFAOYSA-N.
The canonical SMILES is B(C1=C(C=C(C=C1)OCC)F)(O)O.
The CAS number is 279261-82-4.
It has 2 hydrogen bond donor counts.
It has 4 hydrogen bond acceptor counts.