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

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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
2
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
3
Exact Mass
257.96990 g/mol
Monoisotopic Mass
257.96990 g/mol
Topological Polar Surface Area
66.8Ų
Heavy Atom Count
14
Formal Charge
0
Complexity
202
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
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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