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

C₉H₆BrNO₂CAS 147149-84-6240.06 g/mol

Open in Covalent MOL file

Amide Aryl halide Ketone Lactam

Properties

Molecular formula: C₉H₆BrNO₂
Molar mass: 240.06 g/mol
Exact mass: 238.9582 Da
logP: 1.89Crippen estimate
Polar surface area: 46.2 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 0

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

5-Methylisatin608-05-944 % similar 5-Bromoisatin87-48-944 % similar 5-Iodoisatin20780-76-140 % similar Isatin91-56-539 % similar 5-Methoxyisatin39755-95-838 % similar 5-Chloroisatin17630-76-137 % similar 4,6-Dichloro-1H-indole-2,3-dione18711-15-436 % similar 5,7-Dimethylisatin39603-24-236 % 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

Elsewhere

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