5-Bromo-6-chloro-1H-indole

C₈H₅BrClNCAS 122531-09-3230.49 g/mol

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Properties

Molecular formula: C₈H₅BrClN
Molar mass: 230.49 g/mol
Exact mass: 228.9294 Da
logP: 3.58Crippen estimate
Polar surface area: 15.8 Å²
H-bond donors / acceptors: 1 / 0
Rotatable bonds: 0

Identifiers

CAS number

122531-09-3

SMILES

C1=CNC2=CC(=C(C=C21)Br)Cl

InChIKey

SMZUROGBNBCCPT-UHFFFAOYSA-N

InChI

InChI=1S/C8H5BrClN/c9-6-3-5-1-2-11-8(5)4-7(6)10/h1-4,11H

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Names and synonyms

1 names

5-Bromo-6-chloro-indole

Work with 5-Bromo-6-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

5,6-Dichloro-1H-indole121859-57-268 % similar 6-Chloro-5-fluoro-1H-indole122509-72-258 % similar 6-Bromo-5-methyl-1H-indole248602-16-653 % similar 5-Chloroindole17422-32-145 % similar 6-Chloroindole17422-33-245 % similar 6-Bromoindole52415-29-945 % similar 5,6-Difluoro-1H-indole169674-01-542 % similar 4-Chloroindole25235-85-242 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

2-(Bromomethyl)-3-chlorobenzonitrile77533-18-7

Elsewhere

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