5-Nitro-2-oxindole

C₈H₆N₂O₃CAS 20870-79-5178.15 g/mol

Open in Covalent MOL file

Amide Lactam Nitro

Properties

Molecular formula: C₈H₆N₂O₃
Molar mass: 178.15 g/mol
Exact mass: 178.0378 Da
logP: 1.09Crippen estimate
Polar surface area: 72.2 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 1

Identifiers

CAS number

20870-79-5

SMILES

C1C2=C(C=CC(=C2)[N+](=O)[O-])NC1=O

InChIKey

JQCGHRDKVZPCRO-UHFFFAOYSA-N

InChI

InChI=1S/C8H6N2O3/c11-8-4-5-3-6(10(12)13)1-2-7(5)9-8/h1-3H,4H2,(H,9,11)

Weigh it out

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

Names and synonyms

1 names

5-Nitrooxindole

Work with 5-Nitro-2-oxindole

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-Nitro-2-indanone116530-60-055 % similar 5-Nitroindoline32692-19-654 % similar 5-Chlorooxindole17630-75-053 % similar 5-Bromo-2-oxindole20870-78-453 % similar 5-Hydroxyoxindole3416-18-053 % similar 5-Fluoro-1,3-dihydroindol-2-one56341-41-453 % similar 2-(2-Chloroacetamido)-5-nitro-2'-chlorobenzophenone180854-85-751 % similar 2,7-Dinitrofluorene5405-53-849 % similar

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

Same formula

2-Cyano-5-nitroanisole101084-96-2 6-Nitro-isoindolin-1-one110568-64-4 4-Isocyanato-1-methyl-2-nitrobenzene13471-69-7 3-Methoxy-2-nitro benzonitrile142596-50-7 5-Aminoisatoic anhydride169037-24-5 2-(4-Nitrophenoxy)acetonitrile33901-46-1 2,3-Dihydro-4-nitro-1H-isoindol-1-one366452-97-3 2-Methyl-6-nitrobenzoxazole5683-43-2

Elsewhere

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