4-METHOXYCARBONYL-2-NITROPHENYLBORONIC ACID

Inquiry

Molecular Formula:

C8H8NO6B

Molecular Weight:

224.96

CAS Number:

85107-55-7

Catalog Number:

85107-55-7

Product Information

Molecular Formula:

C8H8NO6B

Molecular Weight:

224.96

Description

4-METHOXYCARBONYL-2-NITROPHENYLBORONIC ACID is an indispensable compound within the biomedical industry that assumes a pivotal role in synthesizing pharmaceuticals and biologically active molecules. Its paramount significance lies in its contribution to the advancement of drugs designed to combat diverse ailments such as cancer, inflammation, and neurological disorders. Due to its exceptional chemical attributes, this compound constitutes an imperative constituent in the pursuit of innovative drug discovery and profound research.

Synonyms

4-METHOXYCARBONYL-2-NITROPHENYLBORONIC ACID; METHYL 4-BORONO-3-NITROBENZOATE; RARECHEM AH PB 0057; 4-Methoxycarbonyl-2-Nitropheny; 4-METHOXYCARBONO-2-NITROPHENYLBORONICACID; 4-METHOXYCARBONYL-2-NITROPHENYLBORONIC ACID 97%; 4-(Methoxycarbonyl)-2-nitrobenzenebor

IUPAC Name

(4-methoxycarbonyl-2-nitrophenyl)boronic acid

Canonical SMILES

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

InChI

InChI=1S/C8H8BNO6/c1-16-8(11)5-2-3-6(9(12)13)7(4-5)10(14)15/h2-4,12-13H,1H3

InChI Key

SFEJGHJCGQNFQC-UHFFFAOYSA-N

Boiling Point

441°C at 760 mmHg

Melting Point

160-171°C

Flash Point

Not applicable

Purity

97%

Density

1.45g/cm3

Safety Information

Hazards

H302

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

225.0444671 g/mol

Monoisotopic Mass

225.0444671 g/mol

Topological Polar Surface Area

113Å²

Heavy Atom Count

Formal Charge

Complexity

278

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-3016951-A1	Tricyclic pyrido-carboxamide derivatives as rock inhibitors	2013-07-02
EP-3016951-B1	Tricyclic pyrido-carboxamide derivatives as rock inhibitors	2013-07-02
JP-2016523922-A	Tricyclic pyrido-carboxamide derivatives as ROCK inhibitors	2013-07-02
JP-6434968-B2	Tricyclic pyrido-carboxamide derivatives as ROCK inhibitors	2013-07-02
US-2016152628-A1	Tricyclic pyrido-carboxamide derivatives as rock inhibitors	2013-07-02
US-9914740-B2	Tricyclic pyrido-carboxamide derivatives as rock inhibitors	2013-07-02
WO-2015002915-A1	Tricyclic pyri do-carboxam i d e derivatives as rock inhibitors	2013-07-02
EA-027345-B1	COMPOUNDS OF CARBAZOLE APPLIED AS Bromodomain Inhibitors	2013-02-27
EP-2961748-A1	Carbazole compounds useful as bromodomain inhibitors	2013-02-27
EP-2961748-B1	Carbazole compounds useful as bromodomain inhibitors	2013-02-27

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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