5-(2-Chloroacetyl)-6-chlorooxindole

C₁₀H₇Cl₂NO₂CAS 118307-04-3244.07 g/mol

Open in Covalent MOL file

Alkyl halide Amide Aryl halide Ketone Lactam

Properties

Molecular formula: C₁₀H₇Cl₂NO₂
Molar mass: 244.07 g/mol
Exact mass: 242.9854 Da
Melting point: 206–207 °C
logP: 2.26Crippen estimate
Polar surface area: 46.2 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 2

Hazards

Danger

H302 Harmful if swallowed25% of notifiers
H315 Causes skin irritation100% of notifiers
H318 Causes serious eye damage25% of notifiers
H319 Causes serious eye irritation75% of notifiers
H335 May cause respiratory irritation25% of notifiers

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, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

118307-04-3

SMILES

O=C1Cc2cc(C(=O)CCl)c(Cl)cc2N1

InChIKey

LWWVMDRRHHCTMZ-UHFFFAOYSA-N

InChI

InChI=1S/C10H7Cl2NO2/c11-4-9(14)6-1-5-2-10(15)13-8(5)3-7(6)12/h1,3H,2,4H2,(H,13,15)

Weigh it out

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

Names and synonyms

7 names

2H-Indol-2-one, 6-chloro-5-(2-chloroacetyl)-1,3-dihydro-
2H-Indol-2-one, 6-chloro-5-(chloroacetyl)-1,3-dihydro-
6-Chloro-5-(2-chloroacetyl)-1,3-dihydro-2H-indol-2-one
5-(2-Chloroacetyl)-6-chloro-2-oxindole
6-Chloro-5-chloroacetyl-2-oxoindoline
6-Chloro-5-(2-chloroacetyl)indolin-2-one
6-Chloro-5-(chloroacetyl)oxindole

Work with 5-(2-Chloroacetyl)-6-chlorooxindole

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

5,6-Dichloroindolin-2-one71293-59-965 % similar 5-(Chloroacetyl)-1,3-dihydro-2H-indol-2-one65435-04-358 % similar 5-Chlorooxindole17630-75-047 % similar 2-Chloro-N-(2-chlorophenyl)acetamide3289-76-747 % similar 2,2′,4′-Trichloroacetophenone4252-78-247 % similar 5,6-Difluorooxindole71294-07-045 % similar 2-Chloro-N-(2,3-dichlorophenyl)acetamide33560-47-344 % similar 4-Chloro-1,3-dihydro-2H-indol-2-one20870-77-344 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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