5-Bromoindole

C₈H₆BrNCAS 10075-50-0196.05 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₈H₆BrN
Molar mass: 196.05 g/mol
Exact mass: 194.9684 Da
Melting point: 90–92 °C
logP: 2.93Crippen estimate
Polar surface area: 15.8 Å²
H-bond donors / acceptors: 1 / 0
Rotatable bonds: 0

Identifiers

CAS number

10075-50-0

SMILES

Brc1ccc2[nH]ccc2c1

InChIKey

VXWVFZFZYXOBTA-UHFFFAOYSA-N

InChI

InChI=1S/C8H6BrN/c9-7-1-2-8-6(5-7)3-4-10-8/h1-5,10H

Weigh it out

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

Names and synonyms

4 names

1H-Indole, 5-bromo-
Indole, 5-bromo-
5-Bromo-1H-indole
NSC 75581

Work with 5-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

Same formula

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 6-Bromoindole52415-29-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook