chempirical

4-Bromoindole

C8H6BrNCAS 52488-36-5196.05 g/mol

Open in Covalent MOL file
BrHN
Aryl halide

Properties

Molecular formula
C8H6BrN
Molar mass
196.05 g/mol
Exact mass
194.9684 Da
Melting point
15 °C
Boiling point
96 °C (at 1 Torr)
logP
2.93Crippen estimate
Polar surface area
15.8 Ų
H-bond donors / acceptors
1 / 0
Rotatable bonds
0

Identifiers

CAS number
52488-36-5
SMILES
Brc1cccc2[nH]ccc12
InChIKey
GRJZJFUBQYULKL-UHFFFAOYSA-N
InChI
InChI=1S/C8H6BrN/c9-7-2-1-3-8-6(7)4-5-10-8/h1-5,10H

Weigh it out

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

Names and synonyms

3 names
  • 1H-Indole, 4-bromo-
  • Indole, 4-bromo-
  • 4-Bromo-1H-indole

Work with 4-Bromoindole

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-Chloroindole25235-85-256 % similar 4-Methylindole16096-32-554 % similar 1H-Indol-4-ol2380-94-154 % similar Indole-4-methanol1074-85-748 % similar Indole-4-carboxaldehyde1074-86-848 % similar 4-(Trifluoromethyl)-1H-indole128562-95-848 % similar 4-Bromo-6-(trifluoromethyl)-1H-indole1000342-93-747 % similar 4-Bromo-1H-indole-6-carbonitrile374633-29-147 % similar

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

Same formula

5-Bromoindole10075-50-0 5-Bromo-2-methylbenzonitrile156001-51-3 (4-Bromophenyl)acetonitrile16532-79-9 4-Cyanobenzyl bromide17201-43-3 (2-Bromophenyl)acetonitrile19472-74-3 2-Cyanobenzyl bromide22115-41-9 3-Cyanobenzyl bromide28188-41-2 (3-Bromophenyl)acetonitrile31938-07-5

Elsewhere

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