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

C8H3Cl2NO2CAS 18711-15-4216.02 g/mol

Open in Covalent MOL file
ONHClClO
AmideAryl halideKetoneLactam

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 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
0

Hazards

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

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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)

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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

4-Chloroisatin6344-05-465 % similar 6-Chloroisatin6341-92-054 % similar 5-Chloroisatin17630-76-150 % similar 2,4,6-Trichlorobenzoyl chloride4136-95-246 % similar 7-Chloroisatin7477-63-645 % similar 2,4,6-Trichlorobenzoic acid50-43-144 % similar 4-Bromoisatin20780-72-744 % similar 5-Chloro-7-methylisatin14389-06-143 % 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

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