5,6-Dichloro-1H-indole

C₈H₅Cl₂NCAS 121859-57-2186.03 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₈H₅Cl₂N
Molar mass: 186.03 g/mol
Exact mass: 184.9799 Da
logP: 3.47Crippen estimate
Polar surface area: 15.8 Å²
H-bond donors / acceptors: 1 / 0
Rotatable bonds: 0

Identifiers

CAS number

121859-57-2

SMILES

C1=CNC2=CC(=C(C=C21)Cl)Cl

InChIKey

ILINOHVVKWYAFM-UHFFFAOYSA-N

InChI

InChI=1S/C8H5Cl2N/c9-6-3-5-1-2-11-8(5)4-7(6)10/h1-4,11H

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

Names and synonyms

1 names

5,6-Dichloroindole

Work with 5,6-Dichloro-1H-indole

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

6-Chloro-5-fluoro-1H-indole122509-72-268 % similar 5-Bromo-6-chloro-1H-indole122531-09-368 % similar 5-Chloroindole17422-32-154 % similar 6-Chloroindole17422-33-254 % similar 5,6-Difluoro-1H-indole169674-01-550 % similar 4-Chloroindole25235-85-250 % similar 5,6-Dihydroxyindole3131-52-050 % similar 7-Chloroindole53924-05-350 % similar

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

Same formula

4,6-Dichloro-1H-indole101495-18-5 2,6-Dichlorobenzeneacetonitrile3215-64-3 3,4-Dichlorobenzeneacetonitrile3218-49-3 2,4-Dichlorobenzeneacetonitrile6306-60-1

Elsewhere

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