chempirical

1-Chloro-6-iodohexane

C6H12ClICAS 34683-73-3246.52 g/mol

Open in Covalent MOL file
ClI
Alkyl halide

Properties

Molecular formula
C6H12ClI
Molar mass
246.52 g/mol
Exact mass
245.9672 Da
Boiling point
73–74 °C (at 0.7 Torr)
logP
3.22Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
5

Identifiers

CAS number
34683-73-3
SMILES
ClCCCCCCI
InChIKey
QTJHNJCILMMRIQ-UHFFFAOYSA-N
InChI
InChI=1S/C6H12ClI/c7-5-3-1-2-4-6-8/h1-6H2

Weigh it out

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

Names and synonyms

3 names
  • Hexane, 1-chloro-6-iodo-
  • 1-Iodo-6-chlorohexane
  • 6-Chloro-1-iodohexane

Work with 1-Chloro-6-iodohexane

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

1-Chloro-5-iodopentane60274-60-4100 % similar 1-Chloro-3-iodopropane6940-76-775 % similar 1,10-Diiododecane16355-92-360 % similar 1,10-Dichlorodecane2162-98-360 % similar 1,8-Dichlorooctane2162-99-460 % similar 1,6-Dichlorohexane2163-00-060 % similar 1,8-Diiodooctane24772-63-260 % similar 1,5-Dichloropentane628-76-260 % similar

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

Elsewhere

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