2-Bromomethylphenylboronic acid MIDA ester

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Product Information

Molecular Formula
C12H13BBrNO4
Molecular Weight
325.95
Description
Suzuki Cross-Coupling with MIDA Boronates
Synonyms
2-[2-(Bromomethyl)phenyl]-6-methyl-1,3,6,2-dioxazaborocane-4,8-dione; 2-(2-(Bromomethyl)phenyl)-6-methyl-1,3,6,2-dioxazaborocane-4,8-dione
IUPAC Name
2-[2-(bromomethyl)phenyl]-6-methyl-1,3,6,2-dioxazaborocane-4,8-dione
SMILES
B1(OC(=O)CN(CC(=O)O1)C)C2=CC=CC=C2CBr
InChI
InChI=1S/C12H13BBrNO4/c1-15-7-11(16)18-13(19-12(17)8-15)10-5-3-2-4-9(10)6-14/h2-5H,6-8H2,1H3
InChI Key
GUOSLMTXTQNEPM-UHFFFAOYSA-N
Melting Point
196-202 °C
Flash Point
Not applicable

Safety Information

Hazards
H302

Computed Properties

Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
5
Rotatable Bond Count
2
Exact Mass
325.01210 g/mol
Monoisotopic Mass
325.01210 g/mol
Topological Polar Surface Area
55.8Ų
Heavy Atom Count
19
Formal Charge
0
Complexity
335
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
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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