1-Naphthylboronic acid MIDA ester

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Product Information

Molecular Formula
C15H14BNO4
Molecular Weight
283.09
Description
Suzuki Cross-Coupling with MIDA Boronates
Synonyms
Naphthalene-1-boronic acid MIDA ester
IUPAC Name
6-methyl-2-naphthalen-1-yl-1,3,6,2-dioxazaborocane-4,8-dione
SMILES
B1(OC(=O)CN(CC(=O)O1)C)C2=CC=CC3=CC=CC=C23
InChI
InChI=1S/C15H14BNO4/c1-17-9-14(18)20-16(21-15(19)10-17)13-8-4-6-11-5-2-3-7-12(11)13/h2-8H,9-10H2,1H3
InChI Key
ZHHWCMVMTLVGRP-UHFFFAOYSA-N
Melting Point
205-210 °C
Purity
95%

Computed Properties

Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
5
Rotatable Bond Count
1
Exact Mass
283.1015881 g/mol
Monoisotopic Mass
283.1015881 g/mol
Topological Polar Surface Area
55.8Ų
Heavy Atom Count
21
Formal Charge
0
Complexity
397
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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