CAS
1451391-44-8 Purity
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1451391-44-8 Purity
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Specification
The molecular formula is C6H12BClN2O2.
The molecular weight is 190.44 g/mol.
It was created on November 16, 2011.
The IUPAC name is (1,3,5-trimethylpyrazol-4-yl)boronic acid;hydrochloride.
The InChI is InChI=1S/C6H11BN2O2.ClH/c1-4-6(7(10)11)5(2)9(3)8-4;/h10-11H,1-3H3;1H.
The InChIKey is HBVXRUDSVOJNOQ-UHFFFAOYSA-N.
The canonical SMILES is B(C1=C(N(N=C1C)C)C)(O)O.Cl.
The CAS number is 1162262-38-5.
Yes, it is a canonicalized compound.