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
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
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 |
