CAS
1451393-57-9 Purity
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1451393-57-9 Purity
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3-Hydroxymethyl-4-(trifluoromethoxy)phenylboronic acid
CAS
1451393-59-1
Catalog Number
ACM1451393591
Category
Boronic Acids
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What is the molecular formula of 3-Hydroxymethyl-4-(trifluoromethoxy)phenylboronic acid?
The molecular formula is C8H8BF3O4.
What is the molecular weight of 3-Hydroxymethyl-4-(trifluoromethoxy)phenylboronic acid?
The molecular weight is 235.95 g/mol.
What is the IUPAC name of 3-Hydroxymethyl-4-(trifluoromethoxy)phenylboronic acid?
The IUPAC name is [3-(hydroxymethyl)-4-(trifluoromethoxy)phenyl]boronic acid.
What is the InChI code of 3-Hydroxymethyl-4-(trifluoromethoxy)phenylboronic acid?
The InChI code is InChI=1S/C8H8BF3O4/c10-8(11,12)16-7-2-1-6(9(14)15)3-5(7)4-13/h1-3,13-15H,4H2.
What is the InChIKey of 3-Hydroxymethyl-4-(trifluoromethoxy)phenylboronic acid?
The InChIKey is HPVFPMGLKKFBIQ-UHFFFAOYSA-N.
What is the canonical SMILES of 3-Hydroxymethyl-4-(trifluoromethoxy)phenylboronic acid?
The canonical SMILES is B(C1=CC(=C(C=C1)OC(F)(F)F)CO)(O)O.
What is the hydrogen bond donor count of 3-Hydroxymethyl-4-(trifluoromethoxy)phenylboronic acid?
The hydrogen bond donor count is 3.
What is the hydrogen bond acceptor count of 3-Hydroxymethyl-4-(trifluoromethoxy)phenylboronic acid?
The hydrogen bond acceptor count is 7.
How many rotatable bonds are present in 3-Hydroxymethyl-4-(trifluoromethoxy)phenylboronic acid?
There are 3 rotatable bonds present.
Is 3-Hydroxymethyl-4-(trifluoromethoxy)phenylboronic acid a canonicalized compound?
Yes, it is a canonicalized compound.
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