4-Bromo-5-methyl-2,3-indolinedione

C9H6BrNO2CAS 147149-84-6240.06 g/mol

Open in Covalent MOL file
NHOOBr
AmideAryl halideKetoneLactam

Properties

Molecular formula
C9H6BrNO2
Molar mass
240.06 g/mol
Exact mass
238.9582 Da
logP
1.89Crippen estimate
Polar surface area
46.2 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
0

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
147149-84-6
SMILES
CC1=C(C2=C(C=C1)NC(=O)C2=O)Br
InChIKey
DKAVQCARZCYRIS-UHFFFAOYSA-N
InChI
InChI=1S/C9H6BrNO2/c1-4-2-3-5-6(7(4)10)8(12)9(13)11-5/h2-3H,1H3,(H,11,12,13)

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Names and synonyms

1 names
  • 4-Bromo-5-methylisatin

Work with 4-Bromo-5-methyl-2,3-indolinedione

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-Bromoisatin20780-72-753 % similar 4-Chloroisatin6344-05-445 % similar 4-Fluoro-1H-indole-2,3-dione346-34-944 % similar 5-Methylisatin608-05-944 % similar 5-Bromoisatin87-48-944 % similar 7-Methylisatin1127-59-940 % similar 5-Iodoisatin20780-76-140 % similar 6-Bromoisatin6326-79-040 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

5-Bromo-1H-indole-3-carboxylic acid10406-06-1 6-Bromo-1H-indole-2-carboxylic acid16732-65-3 N-(Bromomethyl)phthalimide5332-26-3 6-Bromo-4-hydroxyquinolin-2(1H)-one54675-23-9 5-Bromo-1H-indole-2-carboxylic acid7254-19-5 4-Bromo-7-methylisatin874375-17-4

Elsewhere

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