chempirical

4-Chloroindoline

C8H8ClNCAS 41910-64-9153.61 g/mol

Open in Covalent MOL file
ClHN
Aryl halideSecondary amine

Properties

Molecular formula
C8H8ClN
Molar mass
153.61 g/mol
Exact mass
153.0345 Da
Boiling point
135 °C (at 10 Torr)
logP
2.31Crippen estimate
Polar surface area
12.0 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
0

Identifiers

CAS number
41910-64-9
SMILES
Clc1cccc2c1CCN2
InChIKey
BBHMZHDPVNXFMI-UHFFFAOYSA-N
InChI
InChI=1S/C8H8ClN/c9-7-2-1-3-8-6(7)4-5-10-8/h1-3,10H,4-5H2

Weigh it out

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

Names and synonyms

3 names
  • 1H-Indole, 4-chloro-2,3-dihydro-
  • Indoline, 4-chloro-
  • 4-Chloro-2,3-dihydro-1H-indole

Work with 4-Chloroindoline

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

5-Bromo-1,2,3,4-tetrahydroquinoline114744-50-245 % similar Indoline496-15-145 % similar 2,6-Dichlorobenzeneethanol30595-79-043 % similar 2,6-Dichlorobenzyl chloride2014-83-743 % similar 1,2,3,4-Tetrahydroquinoxaline3476-89-942 % similar 2,6-Dichlorobenzyl alcohol15258-73-841 % similar 2,6-Dichlorobenzyl bromide20443-98-541 % similar 1-(2,6-Dichlorobenzyl)piperazine102292-50-241 % similar

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

Same formula

5-Chloroindoline25658-80-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook