4-(2-Nitrovinyl)phenylboronic acid

Inquiry

Molecular Formula:

C8H8BNO4

Molecular Weight:

192.96

CAS Number:

216394-04-6

Catalog Number:

216394-04-6

Product Information

Molecular Formula:

C8H8BNO4

Molecular Weight:

192.96

Description

4-(2-Nitrovinyl)phenylboronic acid is a compound of utmost significance in the biomedicine realm and holds tremendous promise for addressing a myriad of afflictions spanning cancer to autoimmune disorders. Distinguished by its exceptional capacity to intricately engage specific cellular entities, this extraordinary agent adeptly governs pivotal biological pathways.

Synonyms

(E)-(4-(2-Nitrovinyl)phenyl)boronic acid; 4-(2-Nitrovinyl)phenylboronic acid; 98555-37-4; [4-[(E)-2-nitroethenyl]phenyl]boronic acid; 4-(2-Nitrovinyl)phenylboronicAcid; 4-(E-2-Nitrovinyl)phenylboronic acid; 4-[(E)-2-NITROVINYL]PHENYLBORONIC ACID; 4-[(E)-2-Nitrovinyl]benzeneboronic acid; TRANS-4-(BETA-NITROVINYL)BENZENEBORONIC ACID; {4-[(E)-2-nitroethenyl]phenyl}boronic acid

IUPAC Name

[4-[(E)-2-nitroethenyl]phenyl]boronic acid

Canonical SMILES

B(C1=CC=C(C=C1)C=C[N+](=O)[O-])(O)O

InChI

InChI=1S/C8H8BNO4/c11-9(12)8-3-1-7(2-4-8)5-6-10(13)14/h1-6,11-12H/b6-5+

InChI Key

GMEGTAODWQPCOD-AATRIKPKSA-N

Melting Point

133-138 °C

Flash Point

Not applicable

Safety Information

Hazards

H302

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

193.0546379 g/mol

Monoisotopic Mass

193.0546379 g/mol

Topological Polar Surface Area

86.3Å²

Heavy Atom Count

Formal Charge

Complexity

218

Isotope Atom Count

Defined Atom Stereocenter Count

Undefined Atom Stereocenter Count

Defined Bond Stereocenter Count

Undefined Bond Stereocenter Count

Covalently-Bonded Unit Count

Compound Is Canonicalized

Yes

Patents

Publication Number	Title	Priority Date
EP-3878891-A1	Dynamic covalent hydrogels, precursors thereof and uses thereof	2020-03-10
WO-2021180795-A1	Dynamic covalent hydrogels, precursors thereof and uses thereof	2020-03-10
CA-3054300-A1	Curable and solvent soluble formulations and methods of making and using thereof	2017-02-22
EP-3585824-A2	Curable and solvent soluble formulations and methods of making and using thereof	2017-02-22
US-2020062877-A1	Curable and Solvent Soluble Formulations and Methods of Making and Using Therof	2017-02-22
WO-2018156766-A2	Curable and solvent soluble formulations and methods of making and using thereof	2017-02-22

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The dilution calculator equation

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This equation is commonly abbreviated as: C₁V₁ = C₂V₂

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