5-Chloro-3-methylindole

C₉H₈ClNCAS 71095-42-6165.62 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₉H₈ClN
Molar mass: 165.62 g/mol
Exact mass: 165.0345 Da
logP: 3.13Crippen estimate
Polar surface area: 15.8 Å²
H-bond donors / acceptors: 1 / 0
Rotatable bonds: 0

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

71095-42-6

SMILES

CC1=CNC2=C1C=C(C=C2)Cl

InChIKey

MWEBJGCQVFUVQL-UHFFFAOYSA-N

InChI

InChI=1S/C9H8ClN/c1-6-5-11-9-3-2-7(10)4-8(6)9/h2-5,11H,1H3

Weigh it out

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Names and synonyms

1 names

5-Chloro-3-methyl-1H-indole

Work with 5-Chloro-3-methylindole

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-Fluoro-3-methyl-1H-indole392-13-258 % similar 5-Chloroindole-3-carboxaldehyde827-01-053 % similar Skatole83-34-152 % similar 5-Chlorotryptamine3764-94-151 % similar 5-Chloroindole-3-carboxylic acid10406-05-049 % similar 5-Chlorotryptamine hydrochloride942-26-748 % similar 4-Chloro-1,2-dimethylbenzene615-60-147 % similar 5-Chloro-3-methylbenzo[b]thiophene19404-18-344 % similar

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

Same formula

5-Chloro-2-methyl-1H-indole1075-35-0 Quinoline monohydrochloride530-64-3

Elsewhere

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