1150114-77-4 Purity
98%
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Specification
The molecular formula is C8H9BN2O2.
The molecular weight is 175.98 g/mol.
The IUPAC name is (1-methylindazol-6-yl)boronic acid.
The InChI is InChI=1S/C8H9BN2O2/c1-11-8-4-7(9(12)13)3-2-6(8)5-10-11/h2-5,12-13H,1H3.
The InChIKey is OMVQAWCHQBKZCF-UHFFFAOYSA-N.
The Canonical SMILES is B(C1=CC2=C(C=C1)C=NN2C)(O)O.
The CAS number is 1150114-80-9.
The EC number is 687-325-7.
The DSSTox Substance ID is DTXSID60656769.
Yes, it is a canonicalized compound.
Reference: [1]Bioorganic and Medicinal Chemistry Letters,2011,vol. 21,p. 3152 - 3158
Reference: [1]Bioorganic and Medicinal Chemistry Letters,2011,vol. 21,p. 3152 - 3158
Reference: [1]Patent: WO2012/38743,2012,A1 .Location in patent: Page/Page column 183
* For details of the synthesis route, please refer to the original source to ensure accuracy.