CAS
857530-80-4 Purity
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857530-80-4 Purity
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3-(N-Butylcarbamoyl)-4-fluorophenylboronic acid
CAS
874219-23-5
Catalog Number
ACM874219235-1
Category
Boronic Acids
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What is the molecular formula of the compound?
The molecular formula of the compound is C11H15BFNO3.
What is the molecular weight of the compound?
The molecular weight of the compound is 239.05 g/mol.
What is the IUPAC name of the compound?
The IUPAC name of the compound is [3-(butylcarbamoyl)-4-fluorophenyl]boronic acid.
What is the InChI of the compound?
The InChI of the compound is InChI=1S/C11H15BFNO3/c1-2-3-6-14-11(15)9-7-8(12(16)17)4-5-10(9)13/h4-5,7,16-17H,2-3,6H2,1H3,(H,14,15).
What is the InChIKey of the compound?
The InChIKey of the compound is FYINHVVQWXVREN-UHFFFAOYSA-N.
What is the canonical SMILES of the compound?
The canonical SMILES of the compound is B(C1=CC(=C(C=C1)F)C(=O)NCCCC)(O)O.
What is the CAS number of the compound?
The CAS number of the compound is 874219-23-5.
What is the hydrogen bond donor count of the compound?
The hydrogen bond donor count of the compound is 3.
What is the hydrogen bond acceptor count of the compound?
The hydrogen bond acceptor count of the compound is 4.
Is the compound canonicalized?
Yes, the compound is canonicalized.
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