chempirical

1,1′-[1,2-Ethanediylbis(oxy)]bis[2-nitrobenzene]

C14H12N2O6CAS 51661-19-9304.26 g/mol

Open in Covalent MOL file
ON+O−OON+OO−
EtherNitro

Properties

Molecular formula
C14H12N2O6
Molar mass
304.26 g/mol
Exact mass
304.0695 Da
Melting point
167–168 °C
logP
2.96Crippen estimate
Polar surface area
104.7 Ų
H-bond donors / acceptors
0 / 6
Rotatable bonds
7

Identifiers

CAS number
51661-19-9
SMILES
O=[N+]([O-])c1ccccc1OCCOc1ccccc1[N+](=O)[O-]
InChIKey
DEHTVRKGDUCXRF-UHFFFAOYSA-N
InChI
InChI=1S/C14H12N2O6/c17-15(18)11-5-1-3-7-13(11)21-9-10-22-14-8-4-2-6-12(14)16(19)20/h1-8H,9-10H2

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Type any one amount. The others follow from the molar mass.

Names and synonyms

6 names
  • Benzene, 1,1′-[1,2-ethanediylbis(oxy)]bis[2-nitro-
  • Ethane, 1,2-bis(o-nitrophenoxy)-
  • Ethylene glycol bis(2-nitrophenyl) ether
  • 1,2-Bis(2-nitrophenoxy)ethane
  • 1,2-Bis(o-nitrophenoxy)ethane
  • 1-Nitro-2-[2-(2-nitrophenoxy)ethoxy]benzene

Work with 1,1′-[1,2-Ethanediylbis(oxy)]bis[2-nitrobenzene]

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1-Ethoxy-2-nitrobenzene610-67-377 % similar 1-(2-Nitrophenoxy)octane37682-29-469 % similar O-Nitroanisole91-23-663 % similar 2-Nitrophenoxyacetic acid1878-87-162 % similar 2-Nitrodiphenyl ether2216-12-861 % similar 1,2-Dinitrobenzene528-29-059 % similar 2-Nitrobenzyl bromide3958-60-958 % similar 1-Bromo-2-nitrobenzene577-19-555 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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