CAS
313545-31-2 Purity
97%
313545-31-2 Purity
97%
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The molecular formula is C8H10BClO3.
The molecular weight is 200.43 g/mol.
The IUPAC name is (2-chloro-4-ethoxyphenyl)boronic acid.
The InChI is InChI=1S/C8H10BClO3/c1-2-13-6-3-4-7(9(11)12)8(10)5-6/h3-5,11-12H,2H2,1H3.
The InChIKey is GMFQJZUNQAJZDH-UHFFFAOYSA-N.
The Canonical SMILES is B(C1=C(C=C(C=C1)OCC)Cl)(O)O.
The CAS number is 313545-44-7.
The European Community (EC) Number is 834-705-7.
The Hydrogen Bond Donor Count is 2.
Yes, it is a canonicalized compound.