chempirical

7-Bromoisatin

C8H4BrNO2CAS 20780-74-9226.03 g/mol

Open in Covalent MOL file
ONHBrO
AmideAryl halideKetoneLactam

Properties

Molecular formula
C8H4BrNO2
Molar mass
226.03 g/mol
Exact mass
224.9425 Da
Melting point
203–204 °C
logP
1.58Crippen estimate
Polar surface area
46.2 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
0

Identifiers

CAS number
20780-74-9
SMILES
O=C1Nc2c(Br)cccc2C1=O
InChIKey
OCVKSIWBTJCXPV-UHFFFAOYSA-N
InChI
InChI=1S/C8H4BrNO2/c9-5-3-1-2-4-6(5)10-8(12)7(4)11/h1-3H,(H,10,11,12)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

7 names
  • 1H-Indole-2,3-dione, 7-bromo-
  • Indole-2,3-dione, 7-bromo-
  • Isatin, 7-bromo-
  • 7-Bromo-1H-indole-2,3-dione
  • 7-Bromoindoline-2,3-dione
  • 7-Bromoindole-2,3-dione
  • 7-Bromo-2,3-dioxoindoline

Work with 7-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

7-Methylisatin1127-59-962 % similar 5,7-Dichloroisatin6374-92-144 % similar 4,7-Dichloroisatin18711-13-243 % similar 5-Chloroisatin17630-76-141 % similar 5,7-Dibromo-2-(5,7-dibromo-1,3-dihydro-3-oxo-2H-indol-2-ylidene)-1,2-dihydro-3H-indol-3-one2475-31-241 % similar 5,7-Dimethylisatin39603-24-240 % similar 8-Bromo-1-naphthalenecarboxylic acid1729-99-338 % similar 5-Iodoisatin20780-76-138 % similar

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

Same formula

N-Bromophthalimide2439-85-2 5-Bromoisatin87-48-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook