6-Bromoisatin

C₈H₄BrNO₂CAS 6326-79-0226.03 g/mol

Open in Covalent MOL file

Amide Aryl halide Ketone Lactam

Properties

Molecular formula: C₈H₄BrNO₂
Molar mass: 226.03 g/mol
Exact mass: 224.9425 Da
logP: 1.58Crippen estimate
Polar surface area: 46.2 Å²
H-bond donors / acceptors: 1 / 2
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

6326-79-0

SMILES

C1=CC2=C(C=C1Br)NC(=O)C2=O

InChIKey

HVPQMLZLINVIHW-UHFFFAOYSA-N

InChI

InChI=1S/C8H4BrNO2/c9-4-1-2-5-6(3-4)10-8(12)7(5)11/h1-3H,(H,10,11,12)

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Names and synonyms

1 names

1H-Indole-2,3-dione, 6-bromo-

Work with 6-Bromoisatin

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-Chloroisatin6341-92-060 % similar 6-(Trifluoromethyl)-2,3-dihydro-1H-indole-2,3-dione343-69-157 % similar Isatin91-56-556 % similar 6-Methoxy-2,3-dioxyindole52351-75-455 % similar 3,6-Dibromo-9,10-phenanthrenedione53348-05-352 % similar 5-Chloroisatin17630-76-151 % similar 5-Iodoisatin20780-76-151 % similar 5-Fluoroisatin443-69-651 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

4-Bromoisatin20780-72-7 7-Bromoisatin20780-74-9 N-Bromophthalimide2439-85-2 4-Bromophthalimide6941-75-9 5-Bromoisatin87-48-9

Elsewhere

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