chempirical

1,2-Bis(4-nitrophenyl)ethane

C14H12N2O4CAS 736-30-1272.26 g/mol

Open in Covalent MOL file
N+OO−N+OO−
Nitro

Properties

Molecular formula
C14H12N2O4
Molar mass
272.26 g/mol
Exact mass
272.0797 Da
logP
3.29Crippen estimate
Polar surface area
86.3 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
5

Identifiers

CAS number
736-30-1
SMILES
C1=CC(=CC=C1CCC2=CC=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]
InChIKey
BSNKHEKTRWNNAC-UHFFFAOYSA-N
InChI
InChI=1S/C14H12N2O4/c17-15(18)13-7-3-11(4-8-13)1-2-12-5-9-14(10-6-12)16(19)20/h3-10H,1-2H2

Weigh it out

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

Names and synonyms

16 names · show all
  • 1-Nitro-4-[2-(4-nitrophenyl)ethyl]benzene
  • 4,4'-Dinitrobibenzyl
  • 1,2-Bis(p-nitrophenyl)ethane
  • Dinitro-4,4' dibenzyle
  • Dinitro-4,4' dibenzyle [French]
  • p,p'-Dinitro-bibenzyl
  • 4,4'-Dinitrodibenzyl
  • p,p'-Dinitrodibenzyl
  • p,p'-Dinitrobibenzyl
  • Bibenzyl, 4,4'-dinitro-
  • 1,2-Ethanediylbis(4-nitrobenzene)
  • 1,1'-(1,2-Ethanediyl)bis(4-nitrobenzene)
  • Bibenzyl,4'-dinitro-
  • 1,2-Ethanediylbis[4-nitrobenzene]
  • 1,1'-Ethane-1,2-diylbis(4-nitrobenzene)
  • 4-Nitro-1-[2-(4-nitrophenyl)ethyl]benzene

Work with 1,2-Bis(4-nitrophenyl)ethane

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

1,4-Dinitrobenzene100-25-475 % similar 2-(4-Nitrophenyl)ethanol100-27-673 % similar 4-Nitrophenethyl bromide5339-26-473 % similar 4-Nitrobenzyl bromide100-11-869 % similar 1-Ethyl-4-nitrobenzene100-12-969 % similar 4-Nitrobenzyl chloride100-14-169 % similar 2-(4-Nitrophenyl)ethylamine hydrochloride29968-78-366 % similar 4,4′-Dinitro-1,1′-biphenyl1528-74-165 % similar

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

Same formula

Dimethyl 2,2'-bipyridine-6,6'-dicarboxylate142593-07-5 2,2′-Dinitrodibenzyl16968-19-7

Elsewhere

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