chempirical

Cyclohexanecarbonyl chloride

C7H11ClOCAS 2719-27-9146.61 g/mol

Open in Covalent MOL file
OCl
Acyl halide

Properties

Molecular formula
C7H11ClO
Molar mass
146.61 g/mol
Exact mass
146.0498 Da
Boiling point
180 °C
logP
2.33Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
1

Identifiers

CAS number
2719-27-9
SMILES
O=C(Cl)C1CCCCC1
InChIKey
RVOJTCZRIKWHDX-UHFFFAOYSA-N
InChI
InChI=1S/C7H11ClO/c8-7(9)6-4-2-1-3-5-6/h6H,1-5H2

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

Names and synonyms

7 names
  • Cyclohexylcarbonyl chloride
  • (Chlorocarbonyl)cyclohexane
  • Hexahydrobenzoyl chloride
  • Cyclohexanecarboxylic acid chloride
  • Cyclohexanoyl chloride
  • NSC 85181
  • Cyclohexanoic acid chloride

Work with Cyclohexanecarbonyl chloride

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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Cyclopentanecarbonyl chloride4524-93-094 % similar Cyclobutanecarbonyl chloride5006-22-484 % similar Cyclopropanecarbonyl chloride4023-34-174 % similar 2-Propylpentanoyl chloride2936-08-558 % similar 2-Ethylhexanoyl chloride760-67-854 % similar Cyclohexyl ketone119-60-850 % similar 2-Ethylbutyryl chloride2736-40-550 % similar 1-Acetyl-4-piperidinecarbonyl chloride59084-16-147 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook