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Home Other Building Blocks 2-NITRODIPHENYL ETHER

2-NITRODIPHENYL ETHER

CAS No.:
2216-12-8
Catalog Number:
AG003HSN
Molecular Formula:
C12H9NO3
Molecular Weight:
215.2048
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Product Description
Catalog Number:
AG003HSN
Chemical Name:
2-NITRODIPHENYL ETHER
CAS Number:
2216-12-8
Molecular Formula:
C12H9NO3
Molecular Weight:
215.2048
MDL Number:
MFCD00980966
IUPAC Name:
1-nitro-2-phenoxybenzene
InChI:
InChI=1S/C12H9NO3/c14-13(15)11-8-4-5-9-12(11)16-10-6-2-1-3-7-10/h1-9H
InChI Key:
VNHGETRQQSYUGZ-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccccc1Oc1ccccc1
EC Number:
218-684-6
Properties
Complexity:
233  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
215.058g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
215.208g/mol
Monoisotopic Mass:
215.058g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3  
Literature
Title Journal
Metabolism of nitrodiphenyl ether herbicides by dioxin-degrading bacterium Sphingomonas wittichii RW1. Journal of agricultural and food chemistry 20081008
Protonated nitro group as a gas-phase electrophile: experimental and theoretical study of the cyclization of o-nitrodiphenyl ethers, amines, and sulfides. Journal of the American Society for Mass Spectrometry 20071201
Encapsulation of sodium nimesulide and precursors in beta-cyclodextrin. Organic & biomolecular chemistry 20030307
Synthesis of haptens and protein conjugates for the development of immunoassays for the insect growth regulator fenoxycarb. Journal of agricultural and food chemistry 20020102
Polyvinyl chloride-based membranes for flow injection analysis of quinine in beverages. Journal of AOAC International 20010101
Properties