CAS
957034-55-8 Purity
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957034-55-8 Purity
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5-(Tert-butylcarbmoyl)-2-fluorophenylboronic acid
CAS
874289-51-7
Catalog Number
ACM874289517-1
Category
Boronic Acids
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What is the molecular formula of the compound?
The molecular formula is C11H15BFNO3.
What is the molecular weight of the compound?
The molecular weight is 239.05 g/mol.
What is the IUPAC name of the compound?
The IUPAC name is [5-(tert-butylcarbamoyl)-2-fluorophenyl]boronic acid.
What is the InChI of the compound?
The InChI is InChI=1S/C11H15BFNO3/c1-11(2,3)14-10(15)7-4-5-9(13)8(6-7)12(16)17/h4-6,16-17H,1-3H3,(H,14,15).
What is the InChIKey of the compound?
The InChIKey is KKSGPXWRHLBCCW-UHFFFAOYSA-N.
What is the canonical SMILES of the compound?
The canonical SMILES is B(C1=C(C=CC(=C1)C(=O)NC(C)(C)C)F)(O)O.
What is the CAS number of the compound?
The CAS number is 874289-51-7.
What is the hydrogen bond donor count of the compound?
The hydrogen bond donor count is 3.
What is the hydrogen bond acceptor count of the compound?
The hydrogen bond acceptor count is 4.
Is the compound canonicalized?
Yes, the compound is canonicalized.
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