chempirical

2,2′-Dinitrodibenzyl

C14H12N2O4CAS 16968-19-7272.26 g/mol

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ON+O−N+OO−
Nitro

Properties

Molecular formula
C14H12N2O4
Molar mass
272.26 g/mol
Exact mass
272.0797 Da
Melting point
120–121 °C
logP
3.29Crippen estimate
Polar surface area
86.3 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
5

Identifiers

CAS number
16968-19-7
SMILES
O=[N+]([O-])c1ccccc1CCc1ccccc1[N+](=O)[O-]
InChIKey
YBOZRPPSBVIHGJ-UHFFFAOYSA-N
InChI
InChI=1S/C14H12N2O4/c17-15(18)13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)16(19)20/h1-8H,9-10H2

Weigh it out

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

Names and synonyms

10 names
  • Benzene, 1,1′-(1,2-ethanediyl)bis[2-nitro-
  • Bibenzyl, 2,2′-dinitro-
  • 1,1′-(1,2-Ethanediyl)bis[2-nitrobenzene]
  • 1,2-Bis(o-nitrophenyl)ethane
  • o,o′-Dinitrodibenzyl
  • 2,2′-Dinitrobibenzyl
  • 1,2-Di(o-nitrophenyl)ethane
  • Bis(o-nitrobenzyl)
  • NSC 85868
  • 1-Nitro-2-[2-(2-nitrophenyl)ethyl]benzene

Work with 2,2′-Dinitrodibenzyl

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

2-Nitrobenzeneethanol15121-84-376 % similar 2-Nitrobenzyl alcohol612-25-971 % similar 2-Nitrobenzyl bromide3958-60-969 % similar 1-Ethyl-2-nitrobenzene612-22-669 % similar 2-Nitrobenzyl chloride612-23-769 % similar 1,2-Dinitrobenzene528-29-067 % similar 2-Nitrobenzeneacetonitrile610-66-265 % similar 2,2′-Dinitrobiphenyl2436-96-659 % similar

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

Elsewhere

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