trans-2-(4-Bromophenyl)vinylboronic acid MIDA ester

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Product Information

Molecular Formula:
C13H13BBrNO4
Molecular Weight:
337.96
Description
trans-2-(4-Bromophenyl)vinylboronic acid MIDA ester is an indispensable substance in the biomedical sector and emerges as a pivotal agent in propelling the progress of novel medicinal agents targeting diverse ailments. Its exceptional characteristics render it a potent catalyst for fabricating pharmaceutical compounds endowed with amplified therapeutic efficacy.
Synonyms
MIDA084
IUPAC Name
2-[(E)-2-(4-bromophenyl)ethenyl]-6-methyl-1,3,6,2-dioxazaborocane-4,8-dione
Canonical SMILES
B1(OC(=O)CN(CC(=O)O1)C)C=CC2=CC=C(C=C2)Br
InChI
InChI=1S/C13H13BBrNO4/c1-16-8-12(17)19-14(20-13(18)9-16)7-6-10-2-4-11(15)5-3-10/h2-7H,8-9H2,1H3/b7-6+
InChI Key
DGIULDYIMUHJCF-VOTSOKGWSA-N
Melting Point
218-223 °C
Flash Point
Not applicable

Safety Information

Hazards
H302
Precautionary Statement
P301 + P312 + P330

Computed Properties

Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
5
Rotatable Bond Count
2
Exact Mass
337.01210 g/mol
Monoisotopic Mass
337.01210 g/mol
Topological Polar Surface Area
55.8Ų
Heavy Atom Count
20
Formal Charge
0
Complexity
376
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
1
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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