3-Bromo-2-isopropoxy-5-formylphenylboronic acid

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Product Information

Molecular Formula:
C10H12BBrO4
Molecular Weight:
286.91
Description
3-Bromo-2-isopropoxy-5-formylphenylboronic acid (CAS# 1072951-86-0) is a useful research chemical.
Synonyms
(3-bromo-5-formyl-2-propan-2-yloxyphenyl)boronic acid
IUPAC Name
(3-bromo-5-formyl-2-propan-2-yloxyphenyl)boronic acid
Canonical SMILES
B(C1=CC(=CC(=C1OC(C)C)Br)C=O)(O)O
InChI
InChI=1S/C10H12BBrO4/c1-6(2)16-10-8(11(14)15)3-7(5-13)4-9(10)12/h3-6,14-15H,1-2H3
InChI Key
JDRHFOMNQQEZJZ-UHFFFAOYSA-N
Melting Point
105-109 °C
Purity
97 %
Storage
2-8 °C
LogP
0.72860

Safety Information

Hazards
H315-H319-H335
Precautionary Statement
P261-P305 + P351 + P338
Signal Word
Warning

Computed Properties

Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
4
Exact Mass
286.00120 g/mol
Monoisotopic Mass
286.00120 g/mol
Topological Polar Surface Area
66.8Ų
Heavy Atom Count
16
Formal Charge
0
Complexity
237
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-2015315127-A1 Therapeutic compounds 2009-05-05
US-9024071-B2 Therapeutic compounds 2009-05-05

Literatures

PMID Publication Date Title Journal
4946 1976-01-01 Policy statement on the changeover to Système International (SI) in Acta anaesthesiological Scandinavica Acta anaesthesiologica Scandinavica
3121 1975-12-01 A rapid method for seperation and identification of several hexuronic acids and hexuronic acid-containing oligosaccharides Analytical biochemistry
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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