959996-48-6 Purity
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The molecular formula is C9H11BFNO3.
The synonyms are 874289-29-9, (4-(Ethylcarbamoyl)-2-fluorophenyl)boronic acid, [4-(ethylcarbamoyl)-2-fluorophenyl]boronic acid, and 4-(ETHYLCARBAMOYL)-2-FLUOROPHENYLBORONIC ACID.
It was created on 2012-08-08 and modified on 2023-12-02.
The IUPAC name is [4-(ethylcarbamoyl)-2-fluorophenyl]boronic acid.
The InChI is InChI=1S/C9H11BFNO3/c1-2-12-9(13)6-3-4-7(10(14)15)8(11)5-6/h3-5,14-15H,2H2,1H3,(H,12,13).
The InChIKey is RVPOYQNEOOWSAW-UHFFFAOYSA-N.
The canonical SMILES is B(C1=C(C=C(C=C1)C(=O)NCC)F)(O)O.
The CAS number is 874289-29-9.
The molecular weight is 211.00 g/mol.
Yes, it is a canonicalized compound.