4-Chloro-1,3-dihydro-2H-indol-2-one

C₈H₆ClNOCAS 20870-77-3167.59 g/mol

Open in Covalent MOL file

Amide Aryl halide Lactam

Properties

Molecular formula: C₈H₆ClNO
Molar mass: 167.59 g/mol
Exact mass: 167.0138 Da
logP: 1.83Crippen estimate
Polar surface area: 29.1 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 0

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from the 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

20870-77-3

SMILES

C1C2=C(C=CC=C2Cl)NC1=O

InChIKey

XNSPDJAXCBZCRV-UHFFFAOYSA-N

InChI

InChI=1S/C8H6ClNO/c9-6-2-1-3-7-5(6)4-8(11)10-7/h1-3H,4H2,(H,10,11)

Weigh it out

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

Names and synonyms

1 names

4-Chloro-1,3-dihydro-indol-2-one

Work with 4-Chloro-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

4-Bromooxindole99365-48-764 % similar 2-Chloro-N-(2-chlorophenyl)acetamide3289-76-757 % similar 4-Chloro-1H-pyrrolo[2,3-B]pyridin-2(3H)-one346599-62-057 % similar 5,6-Dichloroindolin-2-one71293-59-956 % similar 2-Chloro-N-(2,3-dichlorophenyl)acetamide33560-47-354 % similar Methyl 2-oxoindoline-4-carboxylate90924-46-253 % similar 4,5-Difluorooxindole850429-64-047 % similar 2,6-Dichlorophenylacetic acid6575-24-246 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3-Chloro-4-methoxybenzonitrile102151-33-7 5-Chlorooxindole17630-75-0 5-Chloro-2-methylbenzoxazole19219-99-9 3-Chloro-4-methylphenyl isocyanate28479-22-3 2-(4-Chlorophenoxy)acetonitrile3598-13-8 3-Chloro-2-methylphenyl isocyanate40397-90-8 2-Chloro-6-methylphenyl isocyanate40398-01-4 5-Chloro-2-methylphenyl isocyanate40411-27-6

Elsewhere

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