chempirical

3,3′-Dinitrobenzophenone

C13H8N2O5CAS 21222-05-9272.22 g/mol

Open in Covalent MOL file
ON+OO−N+OO−
KetoneNitro

Properties

Molecular formula
C13H8N2O5
Molar mass
272.22 g/mol
Exact mass
272.0433 Da
Melting point
155 °C
logP
2.73Crippen estimate
Polar surface area
103.3 Ų
H-bond donors / acceptors
0 / 5
Rotatable bonds
4

Identifiers

CAS number
21222-05-9
SMILES
O=C(c1cccc([N+](=O)[O-])c1)c1cccc([N+](=O)[O-])c1
InChIKey
BSDKBWGNIJMCID-UHFFFAOYSA-N
InChI
InChI=1S/C13H8N2O5/c16-13(9-3-1-5-11(7-9)14(17)18)10-4-2-6-12(8-10)15(19)20/h1-8H

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Names and synonyms

6 names
  • Methanone, bis(3-nitrophenyl)-
  • Benzophenone, 3,3′-dinitro-
  • Bis(3-nitrophenyl)methanone
  • m,m′-Dinitrobenzophenone
  • Bis(m-nitrophenyl) ketone
  • NSC 86515

Work with 3,3′-Dinitrobenzophenone

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

3-Nitrobenzophenone2243-80-390 % similar 3-Nitrobenzoyl bromide13277-62-870 % similar 3-Nitrobenzoyl chloride121-90-468 % similar 1,3-Dinitrobenzene99-65-064 % similar Sodium M-nitrobenzoate827-95-264 % similar 4-Nitrobenzophenone1144-74-764 % similar 1-(3-Nitrophenyl)-1-propanone17408-16-162 % similar 3-Nitrophenacyl bromide2227-64-762 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook