5-Bromo-2-oxindole

C₈H₆BrNOCAS 20870-78-4212.05 g/mol

Open in Covalent MOL file

Amide Aryl halide Lactam

Properties

Molecular formula: C₈H₆BrNO
Molar mass: 212.05 g/mol
Exact mass: 210.9633 Da
Melting point: 220–221 °C
logP: 1.94Crippen estimate
Polar surface area: 29.1 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 0

Hazards

Warning

H315 Causes skin irritation20% of notifiers
H317 May cause an allergic skin reaction82% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation20% of notifiers

Aggregated from 50 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P272, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

20870-78-4

SMILES

O=C1Cc2cc(Br)ccc2N1

InChIKey

VIMNAEVMZXIKFL-UHFFFAOYSA-N

InChI

InChI=1S/C8H6BrNO/c9-6-1-2-7-5(3-6)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

8 names

2H-Indol-2-one, 5-bromo-1,3-dihydro-
2-Indolinone, 5-bromo-
Oxindole, 5-bromo-
5-Bromo-1,3-dihydro-2H-indol-2-one
5-Bromo-1,3-dihydroindol-2-one
5-Bromooxindole
5-Bromo-2-oxo-2,3-dihydro-1H-indole
5-Bromo-2,3-dihydroindol-2-one

Work with 5-Bromo-2-oxindole

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

6-Bromo-1,3-dihydro-2H-indol-2-one99365-40-975 % similar 6-Bromo-3,4-dihydro-1H-quinolin-2-one3279-90-171 % similar 5-Hydroxyoxindole3416-18-065 % similar 5-Chlorooxindole17630-75-060 % similar 5-Aminooxindole20876-36-260 % similar 5-Fluoro-1,3-dihydroindol-2-one56341-41-460 % similar 6-Bromo-1,4-dihydro-2H-3,1-benzoxazin-2-one1017783-09-355 % similar 5-Carboxyoxindole102359-00-255 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3-Bromo-4-methoxybenzonitrile117572-79-9 2-Bromo-5-methoxybenzonitrile138642-47-4 5-Bromo-2-methoxybenzonitrile144649-99-0 4-Bromo-2-methylphenyl isocyanate1591-98-6 7-Bromo-2,3-dihydro-isoindol-1-one200049-46-3 4-Bromoisoindolin-1-one337536-15-9 3-Bromomethylbenzisoxazole37924-85-9 5-Bromo-2,3-dihydro-isoindol-1-one552330-86-6

Elsewhere

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