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4-(2-Nitrophenoxy)phenylboronic acid - 96%, high purity , CAS No.957062-62-3
Basic Description
Synonyms
957062-62-3 | 4-(2-Nitrophenoxy)phenylboronic acid | (4-(2-Nitrophenoxy)phenyl)boronic acid | [4-(2-nitrophenoxy)phenyl]boronic acid | (4-(2-Nitrophenoxy)phenyl)boronicacid | SCHEMBL2552630 | DTXSID10656931 | MFCD09878332 | 4-(2-Nitrophenoxy)benzeneboronic acid | AKOS01583
Specifications & Purity
≥96%
Storage Temp
Room temperature
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Diphenylethers
Intermediate Tree Nodes
Not available
Direct Parent
Diphenylethers
Alternative Parents
Diarylethers Nitrobenzenes Phenoxy compounds Phenol ethers Nitroaromatic compounds Boronic acids Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organic metalloid salts Organonitrogen compounds Organometalloid compounds Organic zwitterions Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Diphenylether - Diaryl ether - Nitrobenzene - Phenoxy compound - Nitroaromatic compound - Phenol ether - Boronic acid derivative - Boronic acid - C-nitro compound - Organic nitro compound - Ether - Organic metalloid salt - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organonitrogen compound - Organic oxygen compound - Organic metalloid moeity - Organic nitrogen compound - Organooxygen compound - Organic salt - Organic zwitterion - Organic oxide - Hydrocarbon derivative - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as diphenylethers. These are aromatic compounds containing two benzene rings linked to each other through an ether group.
External Descriptors
Not available
Data sources
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
Names and Identifiers
IUPAC Name
[4-(2-nitrophenoxy)phenyl]boronic acid
INCHI
InChI=1S/C12H10BNO5/c15-13(16)9-5-7-10(8-6-9)19-12-4-2-1-3-11(12)14(17)18/h1-8,15-16H
InChIKey
COFSQPXQXYCXFW-UHFFFAOYSA-N
Smiles
B(C1=CC=C(C=C1)OC2=CC=CC=C2[N+](=O)[O-])(O)O
Isomeric SMILES
B(C1=CC=C(C=C1)OC2=CC=CC=C2[N+](=O)[O-])(O)O
PubChem CID
44118634
Molecular Weight
259
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
259.019 g/mol
XLogP3
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
5
Rotatable Bond Count
3
Exact Mass
259.065 Da
Monoisotopic Mass
259.065 Da
Topological Polar Surface Area
95.500 Ų
Heavy Atom Count
19
Formal Charge
0
Complexity
301.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
The total count of all stereochemical bonds
0
Covalently-Bonded Unit Count
1
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