CAS
476335-11-2 Purity
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476335-11-2 Purity
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4-(Trifluoromethyl)pyridine-2-boronic acid
CAS
870459-90-8
Catalog Number
ACM870459908
Category
Boro-Amino Acids
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What is the molecular formula of the compound?
The molecular formula of the compound is C6H5BF3NO2.
What is the molecular weight of the compound?
The molecular weight of the compound is 190.92 g/mol.
What is the IUPAC name of the compound?
The IUPAC name of the compound is [4-(trifluoromethyl)pyridin-2-yl]boronic acid.
What is the InChI of the compound?
The InChI of the compound is InChI=1S/C6H5BF3NO2/c8-6(9,10)4-1-2-11-5(3-4)7(12)13/h1-3,12-13H.
What is the InChIKey of the compound?
The InChIKey of the compound is KJFNGXQZOZOTHA-UHFFFAOYSA-N.
What is the canonical SMILES of the compound?
The canonical SMILES of the compound is B(C1=NC=CC(=C1)C(F)(F)F)(O)O.
What is the CAS number of the compound?
The CAS number of the compound is 870459-90-8.
How many hydrogen bond donor counts does the compound have?
The compound has 2 hydrogen bond donor counts.
How many hydrogen bond acceptor counts does the compound have?
The compound has 6 hydrogen bond acceptor counts.
What is the topological polar surface area (TPSA) of the compound?
The topological polar surface area (TPSA) of the compound is 53.4Ų.
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