chempirical

Chlorocycloheptane

C7H13ClCAS 2453-46-5132.63 g/mol

Open in Covalent MOL file
Cl
Alkyl halide

Properties

Molecular formula
C7H13Cl
Molar mass
132.63 g/mol
Exact mass
132.0706 Da
logP
2.95Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
0

Identifiers

CAS number
2453-46-5
SMILES
ClC1CCCCCC1
InChIKey
KMJSGLZXFNSANB-UHFFFAOYSA-N
InChI
InChI=1S/C7H13Cl/c8-7-5-3-1-2-4-6-7/h7H,1-6H2

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

Names and synonyms

3 names
  • Cycloheptane, chloro-
  • Cycloheptyl chloride
  • NSC 75844

Work with Chlorocycloheptane

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

Cyclohexyl chloride542-18-7100 % similar Chlorocyclopentane930-28-992 % similar Chlorocyclobutane1120-57-677 % similar 4-Chlorotetrahydro-2H-pyran1768-64-544 % similar Bicyclohexyl92-51-340 % similar 4-Chloro-1-methylpiperidine5570-77-438 % similar 16,17-Dichloroheptadecanoic acid116409-75-738 % similar 1,2,3-Trichloropropane96-18-435 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook