chempirical

Cyclohexyl carbonochloridate

C7H11ClO2CAS 13248-54-9162.61 g/mol

Open in Covalent MOL file
OClO
Acyl halide

Properties

Molecular formula
C7H11ClO2
Molar mass
162.61 g/mol
Exact mass
162.0448 Da
Boiling point
78–83 °C (at 12 Torr)
logP
2.69Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

Identifiers

CAS number
13248-54-9
SMILES
O=C(Cl)OC1CCCCC1
InChIKey
IWVJLGPDBXCTDA-UHFFFAOYSA-N
InChI
InChI=1S/C7H11ClO2/c8-7(9)10-6-4-2-1-3-5-6/h6H,1-5H2

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Names and synonyms

5 names
  • Carbonochloridic acid, cyclohexyl ester
  • Formic acid, chloro-, cyclohexyl ester
  • Chloroformic acid cyclohexyl ester
  • Cyclohexyl chloroformate
  • (Cyclohexyloxy)carbonyl chloride

Work with Cyclohexyl carbonochloridate

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

Cyclopentyl chloroformate50715-28-195 % similar Cyclohexyl acetate622-45-750 % similar Cyclohexyl propionate6222-35-147 % similar 1-Chloroethyl cyclohexyl carbonate99464-83-245 % similar Cyclohexyl acrylate3066-71-545 % similar Isopropyl chloroformate108-23-644 % similar Cyclohexyl methacrylate101-43-944 % similar Cyclohexyl butyrate1551-44-644 % similar

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

Elsewhere

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