5-(Chloroacetyl)-1,3-dihydro-2H-indol-2-one

C10H8ClNO2CAS 65435-04-3209.63 g/mol

Open in Covalent MOL file
OClNHO
Alkyl halideAmideKetoneLactam

Properties

Molecular formula
C10H8ClNO2
Molar mass
209.63 g/mol
Exact mass
209.0244 Da
logP
1.60Crippen estimate
Polar surface area
46.2 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

Aggregated from 2 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
65435-04-3
SMILES
C1C2=C(C=CC(=C2)C(=O)CCl)NC1=O
InChIKey
WXJWBEAGVWVEDM-UHFFFAOYSA-N
InChI
InChI=1S/C10H8ClNO2/c11-5-9(13)6-1-2-8-7(3-6)4-10(14)12-8/h1-3H,4-5H2,(H,12,14)

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Names and synonyms

1 names
  • 5-Chloroacetyloxindole

Work with 5-(Chloroacetyl)-1,3-dihydro-2H-indol-2-one

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-Carboxyoxindole102359-00-260 % similar 5-Acetyl-2,3-dihydro-1H-indol-2-one64483-69-860 % similar 5-(2-Chloroacetyl)-6-chlorooxindole118307-04-358 % similar 5-Chlorooxindole17630-75-056 % similar Methyl oxindole-5-carboxylate199328-10-456 % similar 5-Bromo-2-oxindole20870-78-453 % similar 5-Aminooxindole20876-36-253 % similar 5-Hydroxyoxindole3416-18-053 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-Chloro-6-methoxyquinolin-7-ol205448-31-3 4-Chloroindole-3-acetic acid2519-61-1

Elsewhere

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