CAS
913836-12-1 Purity
98%
913836-12-1 Purity
98%
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Specification
The chemical formula is C7H7BN2O2.
The molecular weight is 161.96 g/mol.
The IUPAC name is 1H-indazol-7-ylboronic acid.
The InChI is InChI=1S/C7H7BN2O2/c11-8(12)6-3-1-2-5-4-9-10-7(5)6/h1-4,11-12H,(H,9,10).
The InChIKey is QAHHYPPRKWNXHT-UHFFFAOYSA-N.
The canonical SMILES is B(C1=C2C(=CC=C1)C=NN2)(O)O.
The CAS number is 915411-01-7.
The EC number is 890-124-9.
Yes, it is considered a canonicalized compound.
Reference: [1]Patent: US2006/270686,2006,A1 .Location in patent: Page/Page column 26