chempirical

5-Nitroisatin

C8H4N2O4CAS 611-09-6192.13 g/mol

Open in Covalent MOL file
OHNN+OO−O
AmideKetoneLactamNitro

Properties

Molecular formula
C8H4N2O4
Molar mass
192.13 g/mol
Exact mass
192.0171 Da
Melting point
251 °C (decomposes)
logP
0.73Crippen estimate
Polar surface area
89.3 Ų
H-bond donors / acceptors
1 / 4
Rotatable bonds
1

Identifiers

CAS number
611-09-6
SMILES
O=C1Nc2ccc([N+](=O)[O-])cc2C1=O
InChIKey
UNMYHYODJHKLOC-UHFFFAOYSA-N
InChI
InChI=1S/C8H4N2O4/c11-7-5-3-4(10(13)14)1-2-6(5)9-8(7)12/h1-3H,(H,9,11,12)

Weigh it out

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

Names and synonyms

8 names
  • 1H-Indole-2,3-dione, 5-nitro-
  • Indole-2,3-dione, 5-nitro-
  • Isatin, 5-nitro-
  • 5-Nitro-1H-indole-2,3-dione
  • 5-Nitroindole-2,3-dione
  • NSC 525798
  • 5-Nitro-2,3-indolinedione
  • 5-Nitroindoline-2,3-dione

Work with 5-Nitroisatin

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

5-Chloroisatin17630-76-153 % similar 5-Iodoisatin20780-76-153 % similar 5-Methylisatin608-05-953 % similar 5-Bromoisatin87-48-953 % similar 2,7-Dinitro-9-fluorenone31551-45-850 % similar 5-Methoxyisatin39755-95-849 % similar Isatin91-56-549 % similar 4-Nitrophthalic anhydride5466-84-248 % similar

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

Same formula

4-Cyano-3-nitrobenzoic acid153775-42-9 3-Nitrophthalimide603-62-3 4-Nitrophthalimide89-40-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook