CAS
1190989-09-3 Purity
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1190989-09-3 Purity
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Specification
The molecular formula is C8H10BBrO3.
The molecular weight is 244.88 g/mol.
It was created on September 7, 2005.
The IUPAC name is (5-bromo-2-ethoxyphenyl)boronic acid.
The InChI is InChI=1S/C8H10BBrO3/c1-2-13-8-4-3-6(10)5-7(8)9(11)12/h3-5,11-12H,2H2,1H3.
The InChIKey is PMWQJPWDAQROND-UHFFFAOYSA-N.
The canonical SMILES is B(C1=C(C=CC(=C1)Br)OCC)(O)O.
The CAS number is 352525-82-7.
The hydrogen bond donor count is 2.
Yes, it is a canonicalized compound.