7-Bromoindole

C8H6BrNCAS 51417-51-7196.05 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
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 47 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
51417-51-7
SMILES
C1=CC2=C(C(=C1)Br)NC=C2
InChIKey
RDSVSEFWZUWZHW-UHFFFAOYSA-N
InChI
InChI=1S/C8H6BrN/c9-7-3-1-2-6-4-5-10-8(6)7/h1-5,10H

Weigh it out

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

Work with 7-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

7-Bromo-5-chloro-1H-indole292636-08-959 % similar 7-Chloroindole53924-05-356 % similar 7-Bromo-1H-pyrrolo[3,2-c]pyridine902837-42-755 % similar 7-Hydroxyindole2380-84-954 % similar 7-Fluoro-1H-indole387-44-054 % similar 7-Aminoindole5192-04-154 % similar 7-Methylindole933-67-554 % similar 1,8-Dibromonaphtalene17135-74-950 % 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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