2-Chloro-1H-indole-3-carbaldehyde

C9H6ClNOCAS 5059-30-3179.60 g/mol

Open in Covalent MOL file
NHClO
AldehydeAryl halide

Properties

Molecular formula
C9H6ClNO
Molar mass
179.60 g/mol
Exact mass
179.0138 Da
logP
2.63Crippen estimate
Polar surface area
32.9 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 4 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, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
5059-30-3
SMILES
C1=CC=C2C(=C1)C(=C(N2)Cl)C=O
InChIKey
XYSSNBNFOBVMAU-UHFFFAOYSA-N
InChI
InChI=1S/C9H6ClNO/c10-9-7(5-12)6-3-1-2-4-8(6)11-9/h1-5,11H

Weigh it out

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

Work with 2-Chloro-1H-indole-3-carbaldehyde

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

2-Methylindole-3-carboxaldehyde5416-80-859 % similar 2-Phenylindole-3-carboxaldehyde25365-71-357 % similar 9,10-Anthracenedicarboxaldehyde7044-91-948 % similar Indole-3-carbaldehyde487-89-842 % similar Carbazole86-74-841 % similar Anthracene-9-carbaldehyde642-31-941 % similar 2,6-Dichlorobenzaldehyde83-38-541 % similar 1H-Benzimidazole-2-carboxaldehyde3314-30-541 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

5-Chloro-8-hydroxyquinoline130-16-5 3-(3-Chlorophenyl)-3-oxopropanenitrile21667-62-9 8-Chloroquinolin-2(1H)-one23981-25-1 2-Chloro-β-oxobenzenepropanenitrile40018-25-5 4-Chlorobenzoylacetonitrile4640-66-8 6-Chloroindole-3-carboxaldehyde703-82-2 5-Chloroindole-3-carboxaldehyde827-01-0 7-Chloro-4-hydroxyquinoline86-99-7

Elsewhere

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