chempirical

Bis(4-nitrophenyl)peroxyanhydride

C14H8N2O8CAS 1712-84-1332.22 g/mol

Open in Covalent MOL file
OOOON+OO−N+OO−
NitroPeroxide

Properties

Molecular formula
C14H8N2O8
Molar mass
332.22 g/mol
Exact mass
332.0281 Da
logP
2.43Crippen estimate
Polar surface area
138.9 Ų
H-bond donors / acceptors
0 / 8
Rotatable bonds
4

Identifiers

CAS number
1712-84-1
SMILES
C1=CC(=CC=C1C(=O)OOC(=O)C2=CC=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]
InChIKey
DSQKWQUVCPSWBA-UHFFFAOYSA-N
InChI
InChI=1S/C14H8N2O8/c17-13(9-1-5-11(6-2-9)15(19)20)23-24-14(18)10-3-7-12(8-4-10)16(21)22/h1-8H

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Names and synonyms

3 names
  • (4-Nitrobenzoyl) 4-nitrobenzenecarboperoxoate
  • Bis(4-nitrobenzoyl) peroxide
  • p-Nitrobenzoyl peroxide

Work with Bis(4-nitrophenyl)peroxyanhydride

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

Methyl 4-nitrobenzoate619-50-172 % similar Ethyl 4-nitrobenzoate99-77-466 % similar 4-Nitrobenzamide619-80-759 % similar 1,4-Dinitrobenzene100-25-458 % similar P-Nitroacetophenone100-19-658 % similar 4-Nitrobenzophenone1144-74-756 % similar Bis(4-nitrophenyl) carbonate5070-13-353 % similar 4-Nitrophthalic anhydride5466-84-253 % similar

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

Elsewhere

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