CAS
612833-41-7 Purity
98%
612833-41-7 Purity
98%
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3-Fluoro-2-(hydroxymethyl)phenylboronic acid
CAS
1246633-55-5
Catalog Number
ACM1246633555
Category
Boronic Acids
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What is the molecular formula of 3-Fluoro-2-(hydroxymethyl)phenylboronic acid?
The molecular formula is C7H8BFO3.
What is the molecular weight of 3-Fluoro-2-(hydroxymethyl)phenylboronic acid?
The molecular weight is 169.95 g/mol.
What is the IUPAC name of 3-Fluoro-2-(hydroxymethyl)phenylboronic acid?
The IUPAC name is [3-fluoro-2-(hydroxymethyl)phenyl]boronic acid.
What is the InChI of 3-Fluoro-2-(hydroxymethyl)phenylboronic acid?
The InChI is InChI=1S/C7H8BFO3/c9-7-3-1-2-6(8(11)12)5(7)4-10/h1-3,10-12H,4H2.
What is the InChIKey of 3-Fluoro-2-(hydroxymethyl)phenylboronic acid?
The InChIKey is FNZUUOCXJIJMBF-UHFFFAOYSA-N.
What is the Canonical SMILES of 3-Fluoro-2-(hydroxymethyl)phenylboronic acid?
The Canonical SMILES is B(C1=C(C(=CC=C1)F)CO)(O)O.
How many hydrogen bond donor counts does 3-Fluoro-2-(hydroxymethyl)phenylboronic acid have?
It has 3 hydrogen bond donor counts.
How many hydrogen bond acceptor counts does 3-Fluoro-2-(hydroxymethyl)phenylboronic acid have?
It has 4 hydrogen bond acceptor counts.
What is the topological polar surface area of 3-Fluoro-2-(hydroxymethyl)phenylboronic acid?
The topological polar surface area is 60.7 Ų.
Is the compound canonicalized?
Yes, the compound is canonicalized.
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