878194-94-6 Purity
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The molecular formula is C11H19BN2O2.
The molecular weight is 222.09 g/mol.
The IUPAC name is 1,5-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole.
The InChI is InChI=1S/C11H19BN2O2/c1-8-9(7-13-14(8)6)12-15-10(2,3)11(4,5)16-12/h7H,1-6H3.
The InChIKey is ZLIQCQOFVHSHPX-UHFFFAOYSA-N.
The canonical SMILES is B1(OC(C(O1)(C)C)(C)C)C2=C(N(N=C2)C).
The CAS number is 1036991-40-8.
The European Community (EC) Number is 687-722-5.
The DSSTox Substance ID is DTXSID50655322.
Yes, it is a canonicalized compound according to PubChem.
Reference: [1] Patent: WO2010/51373, 2010, A1, . Location in patent: Page/Page column 74
Reference: [1]Patent: WO2010/51373,2010,A1 .Location in patent: Page/Page column 74
Reference: [1]Patent: WO2008/95944,2008,A1 .Location in patent: Page/Page column 39-40; 179
Reference: [1]Patent: WO2010/41054,2010,A1 .Location in patent: Page/Page column 65-66
* For details of the synthesis route, please refer to the original source to ensure accuracy.