4-Bromophenylboronic acid MIDA ester

Product Information

Molecular Formula:
C11H11BBrNO4
Molecular Weight:
311.92
Description
Suzuki Cross-Coupling with MIDA Boronates
Synonyms
2-(4-Bromophenyl)-6-methyl-1,3,6,2-dioxazaborocane-4,8-dione
IUPAC Name
2-(4-bromophenyl)-6-methyl-1,3,6,2-dioxazaborocane-4,8-dione
Canonical SMILES
B1(OC(=O)CN(CC(=O)O1)C)C2=CC=C(C=C2)Br
InChI
InChI=1S/C11H11BBrNO4/c1-14-6-10(15)17-12(18-11(16)7-14)8-2-4-9(13)5-3-8/h2-5H,6-7H2,1H3
InChI Key
ZKMPNCNELZIKDC-UHFFFAOYSA-N
Melting Point
248-253 °C
Flash Point
Not applicable
Purity
97%

Computed Properties

Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
5
Rotatable Bond Count
1
Exact Mass
310.99645 g/mol
Monoisotopic Mass
310.99645 g/mol
Topological Polar Surface Area
55.8Ų
Heavy Atom Count
18
Formal Charge
0
Complexity
313
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)

The dilution calculator equation

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

This equation is commonly abbreviated as: C1V1 = C2V2

Related Products

Online Inquiry
  • Verification code
USA
  • International:
  • US & Canada (Toll free):
  • Email:
  • Fax:
UK
  • Email:
Copyright © 2024 BOC Sciences. All rights reserved.
Inquiry Basket