3-Bromoindole

C₈H₆BrNCAS 1484-27-1196.05 g/mol

Open in Covalent MOL file

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 Å²
H-bond donors / acceptors: 1 / 0
Rotatable bonds: 0

Hazards

Danger

H205 (Deleted) May mass explode in fire100% of notifiers
H228 Flammable solid100% of notifiers
H302 Harmful if swallowed100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

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

Precautionary statements

P210, P230, P240, P241, P250, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P370+P380, P372, P373, P401, P403+P233, P405, P501

Identifiers

CAS number

1484-27-1

SMILES

C1=CC=C2C(=C1)C(=CN2)Br

InChIKey

YHIWBVHIGCRVLE-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

1 names

3-Bromo-1h-indole

Work with 3-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-Bromoindole52488-36-556 % similar 3-Bromo-1H-pyrrolo[2,3-C]pyridine67058-76-853 % similar 3,3′-Diindolylmethane1968-05-450 % similar Indoxyl480-93-350 % similar Skatole83-34-150 % similar 3-(2-Bromoethyl)indole3389-21-748 % similar 3-Bromo-7-azaindole74420-15-848 % similar 1-Bromo-9H-carbazole16807-11-747 % 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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