chempirical

Lauroyl chloride

C12H23ClOCAS 112-16-3218.76 g/mol

Open in Covalent MOL file
OCl
Acyl halide

Properties

Molecular formula
C12H23ClO
Molar mass
218.76 g/mol
Exact mass
218.1437 Da
Melting point
−17 °C
Boiling point
145 °C (at 18 Torr)
logP
4.67Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
10

Identifiers

CAS number
112-16-3
SMILES
CCCCCCCCCCCC(=O)Cl
InChIKey
NQGIJDNPUZEBRU-UHFFFAOYSA-N
InChI
InChI=1S/C12H23ClO/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h2-11H2,1H3

Weigh it out

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Names and synonyms

5 names
  • Dodecanoyl chloride
  • Lauric acid chloride
  • n-Dodecanoyl chloride
  • Dodecanoic acid chloride
  • Dodecanoic acid, anhydride with carbonochloridic acid

Work with Lauroyl 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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Octanoyl chloride111-64-8100 % similar Decanoyl chloride112-13-0100 % similar Tetradecanoyl chloride112-64-1100 % similar Palmitoyl chloride112-67-4100 % similar Stearoyl chloride112-76-5100 % similar Undecanoyl chloride17746-05-3100 % similar Heptanoyl chloride2528-61-2100 % similar Nonanoyl chloride764-85-2100 % similar

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

Elsewhere

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