chempirical

Benzo[1,2-C:4,5-C′]dipyrrole-1,3,5,7(2H,6H)-tetrone

C10H4N2O4CAS 2550-73-4216.15 g/mol

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ONHOOHNO
Phenol

Properties

Molecular formula
C10H4N2O4
Molar mass
216.15 g/mol
Exact mass
216.0171 Da
Density
1.64 g/mL
Melting point
440 °C (decomposes)
logP
-0.21Crippen estimate
Polar surface area
100.4 Ų
H-bond donors / acceptors
2 / 6
Rotatable bonds
0

Identifiers

CAS number
2550-73-4
SMILES
O=c1nc(O)c2cc3c(O)nc(=O)c3cc12
InChIKey
UGQZLDXDWSPAOM-UHFFFAOYSA-N
InChI
InChI=1S/C10H4N2O4/c13-7-3-1-4-6(10(16)12-8(4)14)2-5(3)9(15)11-7/h1-2H,(H,11,13,15)(H,12,14,16)

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

Names and synonyms

6 names
  • 1,2,4,5-Benzenetetracarboxylic 1,2:4,5-diimide
  • Pyromellitimide
  • Pyromellitic diimide
  • Pyromellitic acid diimide
  • 1,2,4,5-Benzenetetracarboxylic acid diimide
  • NSC 55160

Work with Benzo[1,2-C:4,5-C′]dipyrrole-1,3,5,7(2H,6H)-tetrone

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

2H-1,3-Benzoxazine-2,4(3H)-dione2037-95-834 % similar 6(5H)-Phenanthridinone1015-89-032 % similar

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

Elsewhere

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