chempirical

4-Chloroindole-3-carbaldehyde

C9H6ClNOCAS 876-72-2179.60 g/mol

Open in Covalent MOL file
ClNHO
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

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
876-72-2
SMILES
C1=CC2=C(C(=C1)Cl)C(=CN2)C=O
InChIKey
MSYJFNQAVTYKOP-UHFFFAOYSA-N
InChI
InChI=1S/C9H6ClNO/c10-7-2-1-3-8-9(7)6(5-12)4-11-8/h1-5,11H

Weigh it out

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

Names and synonyms

1 names
  • 4-Chloro-1H-indole-3-carboxaldehyde

Work with 4-Chloroindole-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

4-Methoxyindole-3-aldehyde90734-97-758 % similar 4-Chloro-1H-pyrrolo(2,3-b)pyridine-3-carbaldehyde918515-16-955 % similar Indole-3-carbaldehyde487-89-853 % similar 4-Benzyloxyindole-3-carboxaldehyde7042-71-951 % similar 2-Chlorobenzaldehyde89-98-550 % similar 1H-Pyrrolo[3,2-B]pyridine-3-carboxaldehyde (9ci)276862-85-247 % similar 2,3-Dichlorobenzaldehyde6334-18-547 % similar 4-Chloroindole-3-acetic acid2519-61-145 % 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 2-Chloro-1H-indole-3-carbaldehyde5059-30-3 6-Chloroindole-3-carboxaldehyde703-82-2 5-Chloroindole-3-carboxaldehyde827-01-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook