4,6-Dichloro-1H-indole-2,3-dione

C₈H₃Cl₂NO₂CAS 18711-15-4216.02 g/mol

Open in Covalent MOL file

Amide Aryl halide Ketone Lactam

Properties

Molecular formula: C₈H₃Cl₂NO₂
Molar mass: 216.02 g/mol
Exact mass: 214.9541 Da
Melting point: 250 °C
logP: 2.13Crippen estimate
Polar surface area: 46.2 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 0

Identifiers

CAS number

18711-15-4

SMILES

O=C1Nc2cc(Cl)cc(Cl)c2C1=O

InChIKey

CGCVHJCZBIYRQC-UHFFFAOYSA-N

InChI

InChI=1S/C8H3Cl2NO2/c9-3-1-4(10)6-5(2-3)11-8(13)7(6)12/h1-2H,(H,11,12,13)

Weigh it out

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

Names and synonyms

4 names

1H-Indole-2,3-dione, 4,6-dichloro-
Indole-2,3-dione, 4,6-dichloro-
4,6-Dichloroisatin
4,6-Dichloro-2,3-indolinedione

Work with 4,6-Dichloro-1H-indole-2,3-dione

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-Chloroisatin17630-76-150 % similar 2,4,6-Trichlorobenzoyl chloride4136-95-246 % similar 2,4,6-Trichlorobenzoic acid50-43-144 % similar Isatin91-56-538 % similar Tcpo1165-91-937 % similar 5-Iodoisatin20780-76-136 % similar 5-Methylisatin608-05-936 % similar 5-Bromoisatin87-48-936 % similar

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

Same formula

4,7-Dichloroisatin18711-13-2 5,7-Dichloroisatin6374-92-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook