7-Bromo-5-chloro-1H-indole

C8H5BrClNCAS 292636-08-9230.49 g/mol

Open in Covalent MOL file
HNClBr
Aryl halide

Properties

Molecular formula
C8H5BrClN
Molar mass
230.49 g/mol
Exact mass
228.9294 Da
logP
3.58Crippen estimate
Polar surface area
15.8 Ų
H-bond donors / acceptors
1 / 0
Rotatable bonds
0

Hazards

Danger
Corrosive (GHS05)Irritant (GHS07)

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
292636-08-9
SMILES
C1=CNC2=C(C=C(C=C21)Cl)Br
InChIKey
CBQDZTGRYHTJRO-UHFFFAOYSA-N
InChI
InChI=1S/C8H5BrClN/c9-7-4-6(10)3-5-1-2-11-8(5)7/h1-4,11H

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Names and synonyms

1 names
  • 7-Bromo-5-chloroindole

Work with 7-Bromo-5-chloro-1H-indole

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-Bromoindole51417-51-759 % similar 7-Bromo-1H-pyrrolo[3,2-c]pyridine902837-42-748 % similar 5-Chloroindole17422-32-147 % similar 5-Chloro-7-azaindole866546-07-844 % similar 7-Chloroindole53924-05-344 % similar 1-Bromo-2,3,5-trichlorobenzene81067-38-144 % similar 6-Chloroindole17422-33-242 % similar 2,6-Dibromo-4-chloroaniline874-17-942 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

5-Bromo-6-chloro-1H-indole122531-09-3 2-(Bromomethyl)-3-chlorobenzonitrile77533-18-7

Elsewhere

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