CAS
55552-70-0 Purity
96%
55552-70-0 Purity
96%
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4-(Hydroxymethyl)-3-(trifluoromethyl)phenylboronic acid
CAS
932390-39-1
Catalog Number
ACM932390391
Category
Boronic Acids
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What is the molecular formula of the compound?
The molecular formula is C8H8BF3O3.
What is the molecular weight of the compound?
The molecular weight is 219.96 g/mol.
What is the IUPAC name of the compound?
The IUPAC name is [4-(hydroxymethyl)-3-(trifluoromethyl)phenyl]boronic acid.
What is the InChI code of the compound?
The InChI code is InChI=1S/C8H8BF3O3/c10-8(11,12)7-3-6(9(14)15)2-1-5(7)4-13/h1-3,13-15H,4H2.
What is the InChIKey of the compound?
The InChIKey is JOMSLFNOGULATK-UHFFFAOYSA-N.
What is the canonical SMILES representation of the compound?
The canonical SMILES is B(C1=CC(=C(C=C1)CO)C(F)(F)F)(O)O.
What is the hydrogen bond donor count of the compound?
The compound has 3 hydrogen bond donors.
What is the hydrogen bond acceptor count of the compound?
The compound has 6 hydrogen bond acceptors.
How many rotatable bonds does the compound have?
The compound has 2 rotatable bonds.
What is the topological polar surface area of the compound?
The topological polar surface area is 60.7 Ų.
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