CAS
1105069-27-9 Purity
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1105069-27-9 Purity
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The molecular formula is C14H14BNO3.
The molecular weight is 255.08 g/mol.
The IUPAC name is [4-(benzylcarbamoyl)phenyl]boronic acid.
The InChI is InChI=1S/C14H14BNO3/c17-14(16-10-11-4-2-1-3-5-11)12-6-8-13(9-7-12)15(18)19/h1-9,18-19H,10H2,(H,16,17).
The InChIKey is AAUCAVUVHBOOPF-UHFFFAOYSA-N.
The canonical SMILES is B(C1=CC=C(C=C1)C(=O)NCC2=CC=CC=C2)(O)O.
The CAS number is 252663-47-1.
The EC number is 813-656-5.
The ChEMBL ID is CHEMBL3770604.
Yes, it is a canonicalized compound.