7-Chloroindole

C8H6ClNCAS 53924-05-3151.59 g/mol

Open in Covalent MOL file
ClHN
Aryl halide

Properties

Molecular formula
C8H6ClN
Molar mass
151.59 g/mol
Exact mass
151.0189 Da
Melting point
56–57 °C
logP
2.82Crippen estimate
Polar surface area
15.8 Ų
H-bond donors / acceptors
1 / 0
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

Aggregated from 46 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number
53924-05-3
SMILES
Clc1cccc2cc[nH]c12
InChIKey
WMYQAKANKREQLM-UHFFFAOYSA-N
InChI
InChI=1S/C8H6ClN/c9-7-3-1-2-6-4-5-10-8(6)7/h1-5,10H

Weigh it out

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

Names and synonyms

3 names
  • 1H-Indole, 7-chloro-
  • Indole, 7-chloro-
  • 7-Chloro-1H-indole

Work with 7-Chloroindole

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

7-Bromoindole51417-51-756 % similar 7-Hydroxyindole2380-84-954 % similar 7-Fluoro-1H-indole387-44-054 % similar 7-Aminoindole5192-04-154 % similar 7-Methylindole933-67-554 % similar 5,6-Dichloro-1H-indole121859-57-250 % similar 1H-Indole-7-methanol1074-87-948 % similar Indole-7-carboxaldehyde1074-88-048 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

(4-Chlorophenyl)acetonitrile140-53-4 3-Chlorobenzeneacetonitrile1529-41-5 5-Chloroindole17422-32-1 6-Chloroindole17422-33-2 3-Chloro-p-toluonitrile21423-81-4 4-Chloroindole25235-85-2 (2-Chlorophenyl)acetonitrile2856-63-5 4-Chloro-2-methylbenzonitrile50712-68-0

Elsewhere

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