3-Bromo-5-formyl-2-methoxyphenylboronic acid

Inquiry

Molecular Formula:

C8H8BBrO4

Molecular Weight:

258.86

CAS Number:

1072951-80-4

Catalog Number:

1072951-80-4

Product Information

Molecular Formula:

C8H8BBrO4

Molecular Weight:

258.86

Description

3-Bromo-5-formyl-2-methoxyphenylboronic acid (CAS# 1072951-80-4) is a useful research chemical.

Synonyms

(3-bromo-5-formyl-2-methoxyphenyl)boronic acid

IUPAC Name

(3-bromo-5-formyl-2-methoxyphenyl)boronic acid

Canonical SMILES

B(C1=CC(=CC(=C1OC)Br)C=O)(O)O

InChI

InChI=1S/C8H8BBrO4/c1-14-8-6(9(12)13)2-5(4-11)3-7(8)10/h2-4,12-13H,1H3

InChI Key

UUPRSFVSYMWVRC-UHFFFAOYSA-N

Melting Point

200-211 °C

Purity

96 %

Storage

2-8 °C

LogP

-0.05000

Safety Information

Hazards

H314

Precautionary Statement

P280-P305 + P351 + P338-P310

Signal Word

Danger

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

257.96990 g/mol

Monoisotopic Mass

257.96990 g/mol

Topological Polar Surface Area

66.8Å²

Heavy Atom Count

Formal Charge

Complexity

202

Isotope Atom Count

Defined Atom Stereocenter Count

Undefined Atom Stereocenter Count

Defined Bond Stereocenter Count

Undefined Bond Stereocenter Count

Covalently-Bonded Unit Count

Compound Is Canonicalized

Yes

Patents

Publication Number	Title	Priority Date
US-2012149693-A1	Therapeutic compounds	2009-05-05
US-9024071-B2	Therapeutic compounds	2009-05-05

The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

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The dilution calculator equation

Concentration _(start) × Volume _(start) = Concentration _(final) × Volume _(final)

This equation is commonly abbreviated as: C₁V₁ = C₂V₂

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