chempirical

1,1′-Oxybis[4-nitrobenzene]

C12H8N2O5CAS 101-63-3260.20 g/mol

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

Properties

Molecular formula
C12H8N2O5
Molar mass
260.20 g/mol
Exact mass
260.0433 Da
Melting point
138–139 °C
logP
3.30Crippen estimate
Polar surface area
95.5 Ų
H-bond donors / acceptors
0 / 5
Rotatable bonds
4

Identifiers

CAS number
101-63-3
SMILES
O=[N+]([O-])c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1
InChIKey
MWAGUKZCDDRDCS-UHFFFAOYSA-N
InChI
InChI=1S/C12H8N2O5/c15-13(16)9-1-5-11(6-2-9)19-12-7-3-10(4-8-12)14(17)18/h1-8H

Weigh it out

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Names and synonyms

12 names
  • Benzene, 1,1′-oxybis[4-nitro-
  • Ether, bis(p-nitrophenyl)
  • Bis(p-nitrophenyl) ether
  • p,p′-Dinitrodiphenyl ether
  • p-Nitrophenyl ether
  • 4,4′-Dinitrodiphenyl oxide
  • Oxybis[4-nitrobenzene]
  • Bis(4-nitrophenyl) ether
  • Di-4-nitrophenyl ether
  • 4,4′-Dinitrodiphenyl ether
  • NSC 8740
  • 1-Nitro-4-(4-nitrophenoxy)benzene

Work with 1,1′-Oxybis[4-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-Nitro-4-phenoxybenzene620-88-284 % similar 4-(4-Nitrophenoxy)benzenamine6149-33-378 % similar 1,4-Dinitrobenzene100-25-471 % similar 4-Nitroanisole100-17-467 % similar 4,4′-Dinitro-1,1′-biphenyl1528-74-163 % similar 4-Nitrophenyl formate1865-01-662 % similar Bis(4-nitrophenyl) carbonate5070-13-362 % similar P-Nitrophenetole100-29-860 % similar

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

Elsewhere

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