chempirical

6-Bromo-1,3-dihydro-2H-indol-2-one

C8H6BrNOCAS 99365-40-9212.05 g/mol

Open in Covalent MOL file
BrNHO
AmideAryl halideLactam

Properties

Molecular formula
C8H6BrNO
Molar mass
212.05 g/mol
Exact mass
210.9633 Da
logP
1.94Crippen estimate
Polar surface area
29.1 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
0

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
99365-40-9
SMILES
C1C2=C(C=C(C=C2)Br)NC1=O
InChIKey
JARRYVQFBQVOBE-UHFFFAOYSA-N
InChI
InChI=1S/C8H6BrNO/c9-6-2-1-5-3-8(11)10-7(5)4-6/h1-2,4H,3H2,(H,10,11)

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Names and synonyms

1 names
  • 6-Bromo-2,3-dihydro-1H-indol-2-one

Work with 6-Bromo-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

6-Fluoro-2,3-dihydro-1H-indol-2-one56341-39-060 % similar 6-Bromo-2H-1,4-benzoxazin-3(4H)-one24036-52-057 % similar 6-Bromo-3,4-dihydro-1H-quinolin-2-one3279-90-157 % similar 6-Trifluoromethyloxindole1735-89-355 % similar 6-Methoxyoxindole7699-19-655 % similar 6-Bromo-4-aza-2-oxindole1190319-62-053 % similar 5-Hydroxyoxindole3416-18-051 % similar 5-Bromo-1H,2H,3H-pyrrolo(2,3-b)pyridin-2-one183208-34-650 % 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 5-Bromo-2-oxindole20870-78-4 4-Bromoisoindolin-1-one337536-15-9 3-Bromomethylbenzisoxazole37924-85-9

Elsewhere

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