CAS
1451392-27-0 Purity
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1451392-27-0 Purity
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The molecular formula is C9H11BFNO4.
The molecular weight is 227.00 g/mol.
The IUPAC name is [3-fluoro-5-[methoxy(methyl)carbamoyl]phenyl]boronic acid.
The InChI is InChI=1S/C9H11BFNO4/c1-12(16-2)9(13)6-3-7(10(14)15)5-8(11)4-6/h3-5,14-15H,1-2H3.
The InChIKey is KQSBAHYEQPZQMF-UHFFFAOYSA-N.
There are 2 hydrogen bond donor counts.
There are 5 hydrogen bond acceptor counts.
The exact mass is 227.0765162 g/mol.
There are 3 rotatable bond counts.
Yes, the compound is canonicalized.