6-Bromoindole

C8H6BrNCAS 52415-29-9196.05 g/mol

Open in Covalent MOL file
BrNH
Aryl halide

Properties

Molecular formula
C8H6BrN
Molar mass
196.05 g/mol
Exact mass
194.9684 Da
Melting point
94 °C
logP
2.93Crippen estimate
Polar surface area
15.8 Ų
H-bond donors / acceptors
1 / 0
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

Aggregated from 48 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
52415-29-9
SMILES
Brc1ccc2cc[nH]c2c1
InChIKey
MAWGHOPSCKCTPA-UHFFFAOYSA-N
InChI
InChI=1S/C8H6BrN/c9-7-2-1-6-3-4-10-8(6)5-7/h1-5,10H

Weigh it out

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

Names and synonyms

3 names
  • 1H-Indole, 6-bromo-
  • Indole, 6-bromo-
  • 6-Bromo-1H-indole

Work with 6-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

6-Hydroxyindole2380-86-157 % similar 6-Methylindole3420-02-854 % similar 7-Bromo-1-hydroxyisoquinoline223671-15-653 % similar 7-Bromoquinolin-4-ol82121-06-053 % similar 6-Iodo-1H-indole115666-47-252 % similar 6-Chloroindole17422-33-252 % similar 6-Fluoroindole399-51-952 % similar 6-Aminoindole5318-27-452 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

5-Bromoindole10075-50-0 3-Bromoindole1484-27-1 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

Elsewhere

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