chempirical

Bis(4-nitrophenyl) carbonate

C13H8N2O7CAS 5070-13-3304.21 g/mol

Open in Covalent MOL file
OON+OO−ON+OO−
CarbonateNitro

Properties

Molecular formula
C13H8N2O7
Molar mass
304.21 g/mol
Exact mass
304.0332 Da
Melting point
140 °C
logP
3.08Crippen estimate
Polar surface area
121.8 Ų
H-bond donors / acceptors
0 / 7
Rotatable bonds
4

Identifiers

CAS number
5070-13-3
SMILES
O=C(Oc1ccc([N+](=O)[O-])cc1)Oc1ccc([N+](=O)[O-])cc1
InChIKey
ACBQROXDOHKANW-UHFFFAOYSA-N
InChI
InChI=1S/C13H8N2O7/c16-13(21-11-5-1-9(2-6-11)14(17)18)22-12-7-3-10(4-8-12)15(19)20/h1-8H

Weigh it out

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Names and synonyms

9 names
  • Carbonic acid, bis(4-nitrophenyl) ester
  • Carbonic acid, bis(p-nitrophenyl) ester
  • p,p′-Dinitrodiphenylcarbonate
  • Bis(p-nitrophenyl) carbonate
  • 4,4′-Dinitrodiphenyl carbonate
  • Di-4-nitrophenyl carbonate
  • Di-p-nitrophenyl carbonate
  • NSC 1730
  • Di(4-nitropropyl) carbonate

Work with Bis(4-nitrophenyl) carbonate

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

4-Nitrophenyl chloroformate7693-46-167 % similar 4-Nitrophenyl acetate830-03-567 % similar Benzyl 4-nitrophenyl carbonate13795-24-966 % similar 4-Nitrophenyl 2-(trimethylsilyl)ethyl carbonate80149-80-063 % similar 1,1′-Oxybis[4-nitrobenzene]101-63-362 % similar Trifluoroacetic acid p-nitrophenyl ester658-78-661 % similar 4-Nitrophenyl 5-thiazolylmethyl carbonate144163-97-360 % similar 1,4-Dinitrobenzene100-25-458 % similar

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

Elsewhere

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