5,6-Dichloro-1H-indole

C8H5Cl2NCAS 121859-57-2186.03 g/mol

Open in Covalent MOL file
HNClCl
Aryl halide

Properties

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

Hazards

Warning
Irritant (GHS07)

Aggregated from 21 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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

Weigh it out

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-Chloro-6-fluoroindole169674-57-168 % 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

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 2,3-Dichlorophenylacetonitrile3218-45-9 3,4-Dichlorobenzeneacetonitrile3218-49-3 2,4-Dichlorobenzeneacetonitrile6306-60-1

Elsewhere

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