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Structure

3,5-Difluoro-4-(hydroxymethyl)phenylboronic acid

CAS
917969-79-0
Catalog Number
ACM917969790
Category
Other Products; Boronic Acids
Molecular Weight
187.94
Molecular Formula
C7H7BF2O3

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What is the molecular formula of 3,5-Difluoro-4-(hydroxymethyl)phenylboronic acid?

The molecular formula is C7H7BF2O3.

What is the molecular weight of 3,5-Difluoro-4-(hydroxymethyl)phenylboronic acid?

The molecular weight is 187.94 g/mol.

What is the IUPAC name of 3,5-Difluoro-4-(hydroxymethyl)phenylboronic acid?

The IUPAC name is [3,5-difluoro-4-(hydroxymethyl)phenyl]boronic acid.

What is the InChI of 3,5-Difluoro-4-(hydroxymethyl)phenylboronic acid?

The InChI is InChI=1S/C7H7BF2O3/c9-6-1-4(8(12)13)2-7(10)5(6)3-11/h1-2,11-13H,3H2.

What is the InChIKey of 3,5-Difluoro-4-(hydroxymethyl)phenylboronic acid?

The InChIKey is ZAVFFEDOMNZWQE-UHFFFAOYSA-N.

What is the canonical SMILES of 3,5-Difluoro-4-(hydroxymethyl)phenylboronic acid?

The canonical SMILES is B(C1=CC(=C(C(=C1)F)CO)F)(O)O.

What is the CAS number of 3,5-Difluoro-4-(hydroxymethyl)phenylboronic acid?

The CAS number is 917969-79-0.

What is the European Community (EC) number of 3,5-Difluoro-4-(hydroxymethyl)phenylboronic acid?

The European Community (EC) number is 801-890-0.

What is the DSSTox Substance ID of 3,5-Difluoro-4-(hydroxymethyl)phenylboronic acid?

The DSSTox Substance ID is DTXSID20660509.

What is the topological polar surface area of 3,5-Difluoro-4-(hydroxymethyl)phenylboronic acid?

The topological polar surface area is 60.7Ų.

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