chempirical

5,7-Dinitrooxindole

C8H5N3O5CAS 30490-21-2223.14 g/mol

Open in Covalent MOL file
N+OO−N+OO−NHO
AmideLactamNitro

Properties

Molecular formula
C8H5N3O5
Molar mass
223.14 g/mol
Exact mass
223.0229 Da
logP
1.00Crippen estimate
Polar surface area
115.4 Ų
H-bond donors / acceptors
1 / 5
Rotatable bonds
2

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
30490-21-2
SMILES
C1C2=C(C(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])NC1=O
InChIKey
OHIHEPCCFSIXCK-UHFFFAOYSA-N
InChI
InChI=1S/C8H5N3O5/c12-7-2-4-1-5(10(13)14)3-6(11(15)16)8(4)9-7/h1,3H,2H2,(H,9,12)

Weigh it out

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

Work with 5,7-Dinitrooxindole

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

7-Nitrooxindole25369-31-763 % similar 5-Nitro-2-oxindole20870-79-560 % similar Hexanitrodiphenylamine131-73-754 % similar 1,1-Diphenyl-2-picrylhydrazine1707-75-146 % similar 2,4,6-Trinitrobenzoic acid129-66-845 % similar 2,4-Dinitrophenylacetic acid643-43-645 % similar 2,4,5,7-Tetranitro-9-fluorenone746-53-244 % similar 1,3,6,8-Tetranitronaphthalene28995-89-344 % similar

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

Elsewhere

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