chempirical

7-Nitrooxindole

C8H6N2O3CAS 25369-31-7178.15 g/mol

Open in Covalent MOL file
N+OO−NHO
AmideLactamNitro

Properties

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

Hazards

Warning
Irritant (GHS07)

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, P501

Identifiers

CAS number
25369-31-7
SMILES
C1C2=C(C(=CC=C2)[N+](=O)[O-])NC1=O
InChIKey
VGANBSWHOYEFKJ-UHFFFAOYSA-N
InChI
InChI=1S/C8H6N2O3/c11-7-4-5-2-1-3-6(10(12)13)8(5)9-7/h1-3H,4H2,(H,9,11)

Weigh it out

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

Work with 7-Nitrooxindole

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

5,7-Dinitrooxindole30490-21-263 % similar 2-Chloro-N-(2-nitrophenyl)acetamide10147-70-349 % similar (2-Nitrophenyl)acetic acid3740-52-149 % similar 2-Oxo-2,3-dihydro-1H-indole-7-carbonitrile380427-40-749 % similar 2,2′-Dinitrodibenzyl16968-19-747 % similar 1,5-Dinitronaphthalene605-71-047 % similar 2-Methyl-3-nitrobenzeneacetic acid23876-15-547 % similar 1,5-Dinitro-9,10-anthracenedione82-35-946 % 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 5-Nitro-2-oxindole20870-79-5 2-(4-Nitrophenoxy)acetonitrile33901-46-1 2,3-Dihydro-4-nitro-1H-isoindol-1-one366452-97-3

Elsewhere

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