4-METHOXYCARBONYL-2-NITROPHENYLBORONIC ACID

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
441ºC at 760 mmHg
Melting Point
160-171ºC
Flash Point
Not applicable
Purity
97%
Density
1.45g/cm3

Safety Information

Hazards
H302

Computed Properties

Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
6
Rotatable Bond Count
3
Exact Mass
225.0444671 g/mol
Monoisotopic Mass
225.0444671 g/mol
Topological Polar Surface Area
113Ų
Heavy Atom Count
16
Formal Charge
0
Complexity
278
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

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)

The dilution calculator equation

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

This equation is commonly abbreviated as: C1V1 = C2V2

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