chempirical

1-(3,4-Dichlorobenzyl)-1H-indole-2,3-dione

C15H9Cl2NO2CAS 79183-19-0306.14 g/mol

Open in Covalent MOL file
OONClCl
AmideAryl halideKetoneLactam

Properties

Molecular formula
C15H9Cl2NO2
Molar mass
306.14 g/mol
Exact mass
305.0010 Da
logP
3.72Crippen estimate
Polar surface area
37.4 Ų
H-bond donors / acceptors
0 / 2
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
79183-19-0
SMILES
C1=CC=C2C(=C1)C(=O)C(=O)N2CC3=CC(=C(C=C3)Cl)Cl
InChIKey
KGRJPLRFGLMQMV-UHFFFAOYSA-N
InChI
InChI=1S/C15H9Cl2NO2/c16-11-6-5-9(7-12(11)17)8-18-13-4-2-1-3-10(13)14(19)15(18)20/h1-7H,8H2

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Work with 1-(3,4-Dichlorobenzyl)-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

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

Elsewhere

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