chempirical

3,4'-Dinitrobenzophenone

C13H8N2O5CAS 1469-74-5272.22 g/mol

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

Properties

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

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
1469-74-5
SMILES
C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)C2=CC=C(C=C2)[N+](=O)[O-]
InChIKey
ZEGCOKXUTZGBGN-UHFFFAOYSA-N
InChI
InChI=1S/C13H8N2O5/c16-13(9-4-6-11(7-5-9)14(17)18)10-2-1-3-12(8-10)15(19)20/h1-8H

Weigh it out

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

Work with 3,4'-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-Nitrobenzophenone2243-80-385 % similar 4-Nitrobenzophenone1144-74-776 % similar 4-Chloro-4′-nitrobenzophenone7497-60-167 % similar 3-Nitrobenzoyl bromide13277-62-862 % similar 4-Fluoro-4'-nitrobenzophenone2195-47-362 % similar 3′-Nitroacetophenone121-89-161 % similar 3-Nitrobenzoyl chloride121-90-461 % similar 3-Nitrobenzoic acid121-92-661 % similar

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

Same formula

3,3′-Dinitrobenzophenone21222-05-9

Elsewhere

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