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5570-19-4

5570-19-4 | (2-Nitrophenyl)boronic acid

CAS No: 5570-19-4 Catalog No: AG003HT1 MDL No:MFCD00161358

Product Description

Catalog Number:
AG003HT1
Chemical Name:
(2-Nitrophenyl)boronic acid
CAS Number:
5570-19-4
Molecular Formula:
C6H6BNO4
Molecular Weight:
166.9271
MDL Number:
MFCD00161358
IUPAC Name:
(2-nitrophenyl)boronic acid
InChI:
InChI=1S/C6H6BNO4/c9-7(10)5-3-1-2-4-6(5)8(11)12/h1-4,9-10H
InChI Key:
SFUIGUOONHIVLG-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccccc1B(O)O

Properties

Complexity:
169  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
167.039g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
166.927g/mol
Monoisotopic Mass:
167.039g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
86.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

Literature

Title Journal
Nitrophenylboronic acids as highly chemoselective probes to detect hydrogen peroxide in foods and agricultural products. Journal of agricultural and food chemistry 20111109
Boronic acid catalysis for mild and selective [3+2] dipolar cycloadditions to unsaturated carboxylic acids. Chemistry (Weinheim an der Bergstrasse, Germany) 20100510
Performances of a multidimensional on-line SPE-LC-ECD method for the determination of three major catecholamines in native human urine: validation, risk and uncertainty assessments. Journal of chromatography. B, Analytical technologies in the biomedical and life sciences 20061205
[Thieno[3,4-c]quinoline-4-yl-amines--synthesis and investigation of activity against malaria]. Die Pharmazie 20061101
[Thieno[3,2-c]quinoline-4-yl-amines--synthesis and investigation of activity against malaria]. Die Pharmazie 20060401
3-Methoxycarbonyl-5-nitrophenyl boronic acid: high affinity diol recognition at neutral pH. Bioorganic & medicinal chemistry letters 20040105

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