3-Benzyloxy-5-fluorobenzeneboronic acid

CAS

850589-56-9

Catalog Number

ACM850589569

Category

Boronic Acids

Molecular Weight

246.04

Molecular Formula

C₁₃H₁₂O₃BF

MSDS COA Spec Sheet

If you have any other questions or need other size, please get a quote.

Specification

Synonyms

3-BENZYLOXY-5-FLUOROPHENYLBORONIC ACID, 850589-56-9, SBB065888, AG-H-41346, 3-Benzyloxy-5-fluorobenzeneboronic acid, ACMC-209q3e, SureCN2504564, CTK5F4011, MolPort-001-772-790, ANW-38088, AKOS015839312, AB30757, RL05256, 3-Benzyloxy-5-fluorophenylboronic acid,, 3-(benzyloxy)-5-fluorophenylboronic acid, AK-40447, KB-29934, (3-fluoro-5-phenylmethoxyphenyl)boronic acid, FT-0652280, V1866

IUPAC Name

(3-fluoro-5-phenylmethoxyphenyl)boronic acid

Canonical SMILES

B(C1=CC(=CC(=C1)F)OCC2=CC=CC=C2)(O)O

InChI Key

QQOFKMPPQQMUDH-UHFFFAOYSA-N

Boiling Point

418.1ºC at 760 mmHg

Melting Point

156-162ºC

Flash Point

206.7ºC

Density

1.26g/cm³

Exact Mass

246.08600

Hazard Statements

Xi: Irritant;

H-Bond Acceptor

H-Bond Donor

What is the molecular formula of 3-Benzyloxy-5-fluorobenzeneboronic acid?

The molecular formula of 3-Benzyloxy-5-fluorobenzeneboronic acid is C13H12BFO3.

What is the molecular weight of 3-Benzyloxy-5-fluorobenzeneboronic acid?

The molecular weight of 3-Benzyloxy-5-fluorobenzeneboronic acid is 246.04 g/mol.

What is the IUPAC name of 3-Benzyloxy-5-fluorobenzeneboronic acid?

The IUPAC name of 3-Benzyloxy-5-fluorobenzeneboronic acid is (3-fluoro-5-phenylmethoxyphenyl)boronic acid.

What is the InChI of 3-Benzyloxy-5-fluorobenzeneboronic acid?

The InChI of 3-Benzyloxy-5-fluorobenzeneboronic acid is InChI=1S/C13H12BFO3/c15-12-6-11(14(16)17)7-13(8-12)18-9-10-4-2-1-3-5-10/h1-8,16-17H,9H2.

What is the InChIKey of 3-Benzyloxy-5-fluorobenzeneboronic acid?

The InChIKey of 3-Benzyloxy-5-fluorobenzeneboronic acid is QQOFKMPPQQMUDH-UHFFFAOYSA-N.

What is the Canonical SMILES of 3-Benzyloxy-5-fluorobenzeneboronic acid?

The Canonical SMILES of 3-Benzyloxy-5-fluorobenzeneboronic acid is B(C1=CC(=CC(=C1)F)OCC2=CC=CC=C2)(O)O.

What is the CAS number of 3-Benzyloxy-5-fluorobenzeneboronic acid?

The CAS number of 3-Benzyloxy-5-fluorobenzeneboronic acid is 850589-56-9.

What is the European Community (EC) number of 3-Benzyloxy-5-fluorobenzeneboronic acid?

The European Community (EC) number of 3-Benzyloxy-5-fluorobenzeneboronic acid is 831-873-3.

What is the DSSTox Substance ID of 3-Benzyloxy-5-fluorobenzeneboronic acid?

The DSSTox Substance ID of 3-Benzyloxy-5-fluorobenzeneboronic acid is DTXSID40659379.

Is 3-Benzyloxy-5-fluorobenzeneboronic acid a canonicalized compound?

Yes, 3-Benzyloxy-5-fluorobenzeneboronic acid is a canonicalized compound according to PubChem.