4,7-Dichloroisatin

C₈H₃Cl₂NO₂CAS 18711-13-2216.02 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
logP: 2.13Crippen estimate
Polar surface area: 46.2 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 0

Identifiers

CAS number

18711-13-2

SMILES

O=C1Nc2c(Cl)ccc(Cl)c2C1=O

InChIKey

NUXYYWOWNFEMNH-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

5 names

1H-Indole-2,3-dione, 4,7-dichloro-
Indole-2,3-dione, 4,7-dichloro-
Isatin, 4,7-dichloro-
4,7-Dichloro-1H-indole-2,3-dione
4,7-Dichloroindoline-2,3-dione

Work with 4,7-Dichloroisatin

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

1,4,5,8-Tetrachloro-9,10-anthracenedione81-58-343 % similar 7-Bromoisatin20780-74-943 % similar 7-Methylisatin1127-59-942 % similar 3,6-Dichlorophthalic anhydride4466-59-539 % similar 5-Chloroisatin17630-76-138 % similar 1,2-Bis(2-chlorophenyl)-1,2-ethanedione21854-95-535 % similar 2,6-Dichlorobenzoyl chloride4659-45-435 % similar 2,3,6-Trichlorobenzoic acid50-31-735 % similar

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

Same formula

4,6-Dichloro-1H-indole-2,3-dione18711-15-4 5,7-Dichloroisatin6374-92-1

Elsewhere

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