chempirical

6-Chloro-5-fluoro-1H-indole

C8H5ClFNCAS 122509-72-2169.58 g/mol

Open in Covalent MOL file
HNFCl
Aryl halide

Properties

Molecular formula
C8H5ClFN
Molar mass
169.58 g/mol
Exact mass
169.0095 Da
logP
2.96Crippen estimate
Polar surface area
15.8 Ų
H-bond donors / acceptors
1 / 0
Rotatable bonds
0

Identifiers

CAS number
122509-72-2
SMILES
C1=CNC2=CC(=C(C=C21)F)Cl
InChIKey
ANGRSSWNBDJESO-UHFFFAOYSA-N
InChI
InChI=1S/C8H5ClFN/c9-6-4-8-5(1-2-11-8)3-7(6)10/h1-4,11H

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Names and synonyms

1 names
  • 6-Chloro-5-fluoroindole

Work with 6-Chloro-5-fluoro-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 5,6-Difluoro-1H-indole169674-01-568 % similar 5-Bromo-6-chloro-1H-indole122531-09-358 % similar 5-Chloroindole17422-32-145 % similar 6-Chloroindole17422-33-245 % similar 5-Fluoroindole399-52-045 % similar 6-Chloro-5-fluoro-1H-benzimidazole175135-04-343 % similar 2-Chloro-1-fluoro-4-methylbenzene1513-25-342 % similar

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

Same formula

4-Chloro-2-fluorobenzeneacetonitrile75279-53-7 2-Chloro-6-fluorobenzeneacetonitrile75279-55-9

Elsewhere

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